PubChemLite - 1365531-84-5 (C48H28F24O4P2)

Structural Information

Molecular Formula

SMILES

COC1=CC(=C(C(=C1)P(C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=C(C=C(C=C4P(C5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F)C6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F)OC)OC)OC

InChI

InChI=1S/C48H28F24O4P2/c1-73-29-17-35(75-3)39(37(19-29)77(31-9-21(41(49,50)51)5-22(10-31)42(52,53)54)32-11-23(43(55,56)57)6-24(12-32)44(58,59)60)40-36(76-4)18-30(74-2)20-38(40)78(33-13-25(45(61,62)63)7-26(14-33)46(64,65)66)34-15-27(47(67,68)69)8-28(16-34)48(70,71)72/h5-20H,1-4H3

InChIKey

JDKXXRZDVSJSNQ-UHFFFAOYSA-N

Compound name

[2-[2-bis[3,5-bis(trifluoromethyl)phenyl]phosphanyl-4,6-dimethoxyphenyl]-3,5-dimethoxyphenyl]-bis[3,5-bis(trifluoromethyl)phenyl]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]+	1187.1152	164.5
[M+Na]+	1209.0971	164.6
[M+NH4]+	1204.1417	164.6
[M+K]+	1225.0711	164.9
[M-H]-	1185.1006	164.5
[M+Na-2H]-	1207.0826	164.9
[M]+	1186.1074	164.5
[M]-	1186.1084	164.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

1187.1152

164.5

[M+Na]+

1209.0971

164.6

[M+NH4]+

1204.1417

164.6

[M+K]+

1225.0711

164.9

[M-H]-

1185.1006

164.5

[M+Na-2H]-

1207.0826

164.9

[M]+

1186.1074

164.5

[M]-

1186.1084

164.5

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

1365531-84-5

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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