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 139.6
[M+Na]+ 262.97269 148.9
[M-H]- 238.97619 136.5
[M+NH4]+ 258.01729 158.5
[M+K]+ 278.94663 145.6
[M+H-H2O]+ 222.98073 133.7
[M+HCOO]- 284.98167 148.8
[M+CH3COO]- 298.99732 184.4
[M+Na-2H]- 260.95814 143.4
[M]+ 239.98292 142.4
[M]- 239.98402 142.4
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

No patent data available for this compound.