CID 119028472

Methyl 1-(chlorosulfonyl)cyclohexanecarboxylate

Structural Information

Molecular Formula
C8H13ClO4S
SMILES
COC(=O)C1(CCCCC1)S(=O)(=O)Cl
InChI
InChI=1S/C8H13ClO4S/c1-13-7(10)8(14(9,11)12)5-3-2-4-6-8/h2-6H2,1H3
InChIKey
OMHMGWLPIWVEGR-UHFFFAOYSA-N
Compound name
methyl 1-chlorosulfonylcyclohexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.02231 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.02959 146.2
[M+Na]+ 263.01153 153.1
[M-H]- 239.01503 149.6
[M+NH4]+ 258.05613 166.8
[M+K]+ 278.98547 150.8
[M+H-H2O]+ 223.01957 143.2
[M+HCOO]- 285.02051 156.0
[M+CH3COO]- 299.03616 182.7
[M+Na-2H]- 260.99698 150.2
[M]+ 240.02176 148.6
[M]- 240.02286 148.6
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.