CID 542802

Difluoromethyl trifluoromethanesulfonate

Structural Information

Molecular Formula
C2HF5O3S
SMILES
C(OS(=O)(=O)C(F)(F)F)(F)F
InChI
InChI=1S/C2HF5O3S/c3-1(4)10-11(8,9)2(5,6)7/h1H
InChIKey
DAANAKGWBDWGBQ-UHFFFAOYSA-N
Compound name
difluoromethyl trifluoromethanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

298
Patents

199.95665 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.96393 125.8
[M+Na]+ 222.94587 135.5
[M-H]- 198.94937 120.4
[M+NH4]+ 217.99047 145.1
[M+K]+ 238.91981 134.5
[M+H-H2O]+ 182.95391 117.6
[M+HCOO]- 244.95485 137.2
[M+CH3COO]- 258.97050 178.2
[M+Na-2H]- 220.93132 129.2
[M]+ 199.95610 122.5
[M]- 199.95720 122.5
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