CID 3599767

Tris(2,2,2-trifluoroethyl) borate

Structural Information

Molecular Formula
C6H6BF9O3
SMILES
B(OCC(F)(F)F)(OCC(F)(F)F)OCC(F)(F)F
InChI
InChI=1S/C6H6BF9O3/c8-4(9,10)1-17-7(18-2-5(11,12)13)19-3-6(14,15)16/h1-3H2
InChIKey
DIEXQJFSUBBIRP-UHFFFAOYSA-N
Compound name
tris(2,2,2-trifluoroethyl) borate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

422
Patents

308.02664 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.03392 154.4
[M+Na]+ 331.01586 162.8
[M-H]- 307.01936 143.5
[M+NH4]+ 326.06046 168.7
[M+K]+ 346.98980 161.8
[M+H-H2O]+ 291.02390 142.7
[M+HCOO]- 353.02484 163.3
[M+CH3COO]- 367.04049 201.6
[M+Na-2H]- 329.00131 157.1
[M]+ 308.02609 145.5
[M]- 308.02719 145.5
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