CID 118938600

2,2-difluoro-2-(4-fluorophenyl)ethyl trifluoromethanesulfonate

Structural Information

Molecular Formula
C9H6F6O3S
SMILES
C1=CC(=CC=C1C(COS(=O)(=O)C(F)(F)F)(F)F)F
InChI
InChI=1S/C9H6F6O3S/c10-7-3-1-6(2-4-7)8(11,12)5-18-19(16,17)9(13,14)15/h1-4H,5H2
InChIKey
BJSLDFZGNNHORG-UHFFFAOYSA-N
Compound name
[2,2-difluoro-2-(4-fluorophenyl)ethyl] trifluoromethanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

307.99417 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.00145 155.3
[M+Na]+ 330.98339 165.1
[M-H]- 306.98689 151.6
[M+NH4]+ 326.02799 170.3
[M+K]+ 346.95733 161.3
[M+H-H2O]+ 290.99143 144.8
[M+HCOO]- 352.99237 164.5
[M+CH3COO]- 367.00802 198.2
[M+Na-2H]- 328.96884 158.8
[M]+ 307.99362 151.5
[M]- 307.99472 151.5
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