CID 125424288

[1-(trifluoromethyl)cyclobutyl]methanesulfonyl chloride

Structural Information

Molecular Formula
C6H8ClF3O2S
SMILES
C1CC(C1)(CS(=O)(=O)Cl)C(F)(F)F
InChI
InChI=1S/C6H8ClF3O2S/c7-13(11,12)4-5(2-1-3-5)6(8,9)10/h1-4H2
InChIKey
ADZCQUYUNBPJOC-UHFFFAOYSA-N
Compound name
[1-(trifluoromethyl)cyclobutyl]methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.98856 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.99584 135.2
[M+Na]+ 258.97778 142.8
[M-H]- 234.98128 135.1
[M+NH4]+ 254.02238 149.6
[M+K]+ 274.95172 142.0
[M+H-H2O]+ 218.98582 125.2
[M+HCOO]- 280.98676 142.5
[M+CH3COO]- 295.00241 186.3
[M+Na-2H]- 256.96323 139.8
[M]+ 235.98801 143.1
[M]- 235.98911 143.1
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.