PubChemLite - 918824-12-1 (C36H22BF14P)

Structural Information

Molecular Formula

SMILES

[B-](C1=C(C(=C(C(=C1F)F)F)F)F)(C2=C(C(=C(C(=C2F)F)F)F)F)C3=C(C(=C(C(=C3F)F)P(C4=C(C=C(C=C4C)C)C)C5=C(C=C(C=C5C)C)C)F)F

InChI

InChI=1S/C36H22BF14P/c1-11-7-13(3)34(14(4)8-11)52(35-15(5)9-12(2)10-16(35)6)36-32(50)24(42)19(25(43)33(36)51)37(17-20(38)26(44)30(48)27(45)21(17)39)18-22(40)28(46)31(49)29(47)23(18)41/h7-10H,1-6H3/q-1

InChIKey

KDUKOLNXDQLNER-UHFFFAOYSA-N

Compound name

None

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]+	763.14018	280.4
[M+Na]+	785.12212	295.6
[M-H]-	761.12562	278.7
[M+NH4]+	780.16672	278.5
[M+K]+	801.09606	283.0
[M+H-H2O]+	745.13016	256.4
[M+HCOO]-	807.13110	285.3
[M+CH3COO]-	821.14675	296.9
[M+Na-2H]-	783.10757	253.9
[M]+	762.13235	269.0
[M]-	762.13345	269.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

763.14018

280.4

[M+Na]+

785.12212

295.6

[M-H]-

761.12562

278.7

[M+NH4]+

780.16672

278.5

[M+K]+

801.09606

283.0

[M+H-H2O]+

745.13016

256.4

[M+HCOO]-

807.13110

285.3

[M+CH3COO]-

821.14675

296.9

[M+Na-2H]-

783.10757

253.9

[M]+

762.13235

269.0

[M]-

762.13345

269.0

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

918824-12-1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe