CID 56776489

Tris(2,2-difluoroethyl)borate

Structural Information

Molecular Formula
C6H9BF6O3
SMILES
B(OCC(F)F)(OCC(F)F)OCC(F)F
InChI
InChI=1S/C6H9BF6O3/c8-4(9)1-14-7(15-2-5(10)11)16-3-6(12)13/h4-6H,1-3H2
InChIKey
QIIPFRVUQAVEFJ-UHFFFAOYSA-N
Compound name
tris(2,2-difluoroethyl) borate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

254.05489 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.06217 146.6
[M+Na]+ 277.04411 152.7
[M-H]- 253.04761 138.5
[M+NH4]+ 272.08871 162.8
[M+K]+ 293.01805 153.0
[M+H-H2O]+ 237.05215 135.9
[M+HCOO]- 299.05309 160.5
[M+CH3COO]- 313.06874 195.8
[M+Na-2H]- 275.02956 144.8
[M]+ 254.05434 142.3
[M]- 254.05544 142.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe