CID 2736203

Tris(2h-hexafluoroisopropyl) borate

Structural Information

Molecular Formula
C9H3BF18O3
SMILES
B(OC(C(F)(F)F)C(F)(F)F)(OC(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C9H3BF18O3/c11-4(12,13)1(5(14,15)16)29-10(30-2(6(17,18)19)7(20,21)22)31-3(8(23,24)25)9(26,27)28/h1-3H
InChIKey
GCMBIWYUVPAPEG-UHFFFAOYSA-N
Compound name
tris(1,1,1,3,3,3-hexafluoropropan-2-yl) borate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

361
Patents

511.98877 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 512.99605 171.4
[M+Na]+ 534.97799 178.6
[M-H]- 510.98149 179.5
[M+NH4]+ 530.02259 184.2
[M+K]+ 550.95193 185.5
[M+H-H2O]+ 494.98603 166.3
[M+HCOO]- 556.98697 183.2
[M+CH3COO]- 571.00262 236.6
[M+Na-2H]- 532.96344 171.5
[M]+ 511.98822 166.5
[M]- 511.98932 166.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe