CID 138987509

2305254-01-5

Structural Information

Molecular Formula
C6H8ClF3O2S
SMILES
C1C(CC1C(F)(F)F)CS(=O)(=O)Cl
InChI
InChI=1S/C6H8ClF3O2S/c7-13(11,12)3-4-1-5(2-4)6(8,9)10/h4-5H,1-3H2
InChIKey
BYGZXLJDUCZBDB-UHFFFAOYSA-N
Compound name
[3-(trifluoromethyl)cyclobutyl]methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.98856 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.99584 134.5
[M+Na]+ 258.97778 142.2
[M-H]- 234.98128 134.4
[M+NH4]+ 254.02238 147.2
[M+K]+ 274.95172 141.2
[M+H-H2O]+ 218.98582 123.2
[M+HCOO]- 280.98676 141.7
[M+CH3COO]- 295.00241 187.8
[M+Na-2H]- 256.96323 137.0
[M]+ 235.98801 142.3
[M]- 235.98911 142.3
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.