CID 84664402

4,4-difluorobutane-1-sulfonyl chloride

Structural Information

Molecular Formula
C4H7ClF2O2S
SMILES
C(CC(F)F)CS(=O)(=O)Cl
InChI
InChI=1S/C4H7ClF2O2S/c5-10(8,9)3-1-2-4(6)7/h4H,1-3H2
InChIKey
DTRYOMRJWMCQHA-UHFFFAOYSA-N
Compound name
4,4-difluorobutane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.98233 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.98961 129.2
[M+Na]+ 214.97155 138.3
[M-H]- 190.97505 127.5
[M+NH4]+ 210.01615 150.0
[M+K]+ 230.94549 135.3
[M+H-H2O]+ 174.97959 124.3
[M+HCOO]- 236.98053 139.9
[M+CH3COO]- 250.99618 177.7
[M+Na-2H]- 212.95700 131.9
[M]+ 191.98178 131.5
[M]- 191.98288 131.5
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.