PubChemLite - 666826-16-0 (C32H12BF24)

Structural Information

Molecular Formula

SMILES

[B-](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)(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=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C32H12BF24/c34-25(35,36)13-1-14(26(37,38)39)6-21(5-13)33(22-7-15(27(40,41)42)2-16(8-22)28(43,44)45,23-9-17(29(46,47)48)3-18(10-23)30(49,50)51)24-11-19(31(52,53)54)4-20(12-24)32(55,56)57/h1-12H/q-1

InChIKey

JNFDRDAXBUYMLD-UHFFFAOYSA-N

Compound name

tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide

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]+	864.07218	284.9
[M+Na]+	886.05412	296.3
[M-H]-	862.05762	274.3
[M+NH4]+	881.09872	279.4
[M+K]+	902.02806	286.1
[M+H-H2O]+	846.06216	262.1
[M+HCOO]-	908.06310	269.7
[M+CH3COO]-	922.07875	283.2
[M+Na-2H]-	884.03957	278.5
[M]+	863.06435	253.1
[M]-	863.06545	253.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

864.07218

284.9

[M+Na]+

886.05412

296.3

[M-H]-

862.05762

274.3

[M+NH4]+

881.09872

279.4

[M+K]+

902.02806

286.1

[M+H-H2O]+

846.06216

262.1

[M+HCOO]-

908.06310

269.7

[M+CH3COO]-

922.07875

283.2

[M+Na-2H]-

884.03957

278.5

[M]+

863.06435

253.1

[M]-

863.06545

253.1

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

666826-16-0

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe