CID 11806768

Methanesulfonic acid, trifluoro-, 4-chlorobutyl ester

Structural Information

Molecular Formula
C5H8ClF3O3S
SMILES
C(CCCl)COS(=O)(=O)C(F)(F)F
InChI
InChI=1S/C5H8ClF3O3S/c6-3-1-2-4-12-13(10,11)5(7,8)9/h1-4H2
InChIKey
ULKPCWRYTSPAGC-UHFFFAOYSA-N
Compound name
4-chlorobutyl trifluoromethanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.98347 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.99075 149.7
[M+Na]+ 262.97269 155.9
[M+NH4]+ 258.01729 154.0
[M+K]+ 278.94663 150.7
[M-H]- 238.97619 142.8
[M+Na-2H]- 260.95814 149.7
[M]+ 239.98292 148.8
[M]- 239.98402 148.8
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

No patent data available for this compound.