CID 25210501

3,3,3-trifluoropropyl methanesulfonate

Structural Information

Molecular Formula
C4H7F3O3S
SMILES
CS(=O)(=O)OCCC(F)(F)F
InChI
InChI=1S/C4H7F3O3S/c1-11(8,9)10-3-2-4(5,6)7/h2-3H2,1H3
InChIKey
LKXPDOQKELOUCP-UHFFFAOYSA-N
Compound name
3,3,3-trifluoropropyl methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

148
Patents

192.0068 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.014076 131.3
[M+Na]+ 214.996018 140.4
[M-H]- 190.999524 128.2
[M+NH4]+ 210.040623 151.2
[M+K]+ 230.969958 139.2
[M+H-H2O]+ 175.004060 124.6
[M+HCOO]- 237.005001 145.1
[M+CH3COO]- 251.020651 177.6
[M+Na-2H]- 212.981466 135.7
[M]+ 192.00625142 131.9
[M]- 192.00734858 131.9
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