PubChemLite - 1,2-bis[bis(pentafluorophenyl)phosphino]ethane (C26H4F20P2)

Structural Information

Molecular Formula

SMILES

C(CP(C1=C(C(=C(C(=C1F)F)F)F)F)C2=C(C(=C(C(=C2F)F)F)F)F)P(C3=C(C(=C(C(=C3F)F)F)F)F)C4=C(C(=C(C(=C4F)F)F)F)F

InChI

InChI=1S/C26H4F20P2/c27-3-7(31)15(39)23(16(40)8(3)32)47(24-17(41)9(33)4(28)10(34)18(24)42)1-2-48(25-19(43)11(35)5(29)12(36)20(25)44)26-21(45)13(37)6(30)14(38)22(26)46/h1-2H2

InChIKey

IGLFIYOFKVGEBP-UHFFFAOYSA-N

Compound name

2-bis(2,3,4,5,6-pentafluorophenyl)phosphanylethyl-bis(2,3,4,5,6-pentafluorophenyl)phosphane

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	758.95418	270.4
[M+Na]+	780.93612	288.5
[M-H]-	756.93962	261.8
[M+NH4]+	775.98072	270.2
[M+K]+	796.91006	275.7
[M+H-H2O]+	740.94416	242.3
[M+HCOO]-	802.94510	276.6
[M+CH3COO]-	816.96075	291.3
[M+Na-2H]-	778.92157	242.8
[M]+	757.94635	253.6
[M]-	757.94745	253.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

758.95418

270.4

[M+Na]+

780.93612

288.5

[M-H]-

756.93962

261.8

[M+NH4]+

775.98072

270.2

[M+K]+

796.91006

275.7

[M+H-H2O]+

740.94416

242.3

[M+HCOO]-

802.94510

276.6

[M+CH3COO]-

816.96075

291.3

[M+Na-2H]-

778.92157

242.8

[M]+

757.94635

253.6

[M]-

757.94745

253.6

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

1,2-bis[bis(pentafluorophenyl)phosphino]ethane

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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