CID 43536539

1154388-34-7

Structural Information

Molecular Formula
C5H9ClO4S
SMILES
CC(CC(=O)OC)S(=O)(=O)Cl
InChI
InChI=1S/C5H9ClO4S/c1-4(11(6,8)9)3-5(7)10-2/h4H,3H2,1-2H3
InChIKey
KMPWMWOHXAFNTH-UHFFFAOYSA-N
Compound name
methyl 3-chlorosulfonylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.99101 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.99829 134.7
[M+Na]+ 222.98023 143.3
[M-H]- 198.98373 135.9
[M+NH4]+ 218.02483 155.2
[M+K]+ 238.95417 141.6
[M+H-H2O]+ 182.98827 131.6
[M+HCOO]- 244.98921 146.9
[M+CH3COO]- 259.00486 178.5
[M+Na-2H]- 220.96568 137.3
[M]+ 199.99046 141.3
[M]- 199.99156 141.3
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.