CID 119056804

Methyl 1-[(chlorosulfonyl)methyl]cyclopropane-1-carboxylate

Structural Information

Molecular Formula
C6H9ClO4S
SMILES
COC(=O)C1(CC1)CS(=O)(=O)Cl
InChI
InChI=1S/C6H9ClO4S/c1-11-5(8)6(2-3-6)4-12(7,9)10/h2-4H2,1H3
InChIKey
LTJAEKFDGQPHKT-UHFFFAOYSA-N
Compound name
methyl 1-(chlorosulfonylmethyl)cyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.99101 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.99829 136.8
[M+Na]+ 234.98023 147.0
[M-H]- 210.98373 141.8
[M+NH4]+ 230.02483 153.7
[M+K]+ 250.95417 144.4
[M+H-H2O]+ 194.98827 133.7
[M+HCOO]- 256.98921 149.7
[M+CH3COO]- 271.00486 182.1
[M+Na-2H]- 232.96568 142.0
[M]+ 211.99046 145.6
[M]- 211.99156 145.6
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.