CID 64018130

2-methanesulfonyl-2-methylpropanoyl chloride

Structural Information

Molecular Formula
C5H9ClO3S
SMILES
CC(C)(C(=O)Cl)S(=O)(=O)C
InChI
InChI=1S/C5H9ClO3S/c1-5(2,4(6)7)10(3,8)9/h1-3H3
InChIKey
WVAXTZRTHGFVMU-UHFFFAOYSA-N
Compound name
2-methyl-2-methylsulfonylpropanoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.9961 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.00338 132.0
[M+Na]+ 206.98532 141.3
[M-H]- 182.98882 133.4
[M+NH4]+ 202.02992 153.3
[M+K]+ 222.95926 139.1
[M+H-H2O]+ 166.99336 129.4
[M+HCOO]- 228.99430 143.4
[M+CH3COO]- 243.00995 176.7
[M+Na-2H]- 204.97077 136.4
[M]+ 183.99555 137.2
[M]- 183.99665 137.2
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.