CID 56776492

2,2-difluoroethyl methanesulfonate

Structural Information

Molecular Formula
C3H6F2O3S
SMILES
CS(=O)(=O)OCC(F)F
InChI
InChI=1S/C3H6F2O3S/c1-9(6,7)8-2-3(4)5/h3H,2H2,1H3
InChIKey
JVLBOSKDGOGFEY-UHFFFAOYSA-N
Compound name
2,2-difluoroethyl methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

299
Patents

160.00056 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.00784 123.8
[M+Na]+ 182.98978 132.7
[M-H]- 158.99328 122.1
[M+NH4]+ 178.03438 145.0
[M+K]+ 198.96372 132.2
[M+H-H2O]+ 142.99782 117.8
[M+HCOO]- 204.99876 139.5
[M+CH3COO]- 219.01441 172.8
[M+Na-2H]- 180.97523 127.3
[M]+ 160.00001 125.4
[M]- 160.00111 125.4
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