CID 84734734

3-methoxycyclohexane-1-sulfonyl chloride

Structural Information

Molecular Formula
C7H13ClO3S
SMILES
COC1CCCC(C1)S(=O)(=O)Cl
InChI
InChI=1S/C7H13ClO3S/c1-11-6-3-2-4-7(5-6)12(8,9)10/h6-7H,2-5H2,1H3
InChIKey
HWAUOHSZLJFCHX-UHFFFAOYSA-N
Compound name
3-methoxycyclohexane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.02739 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.034666 140.8
[M+Na]+ 235.016608 148.3
[M-H]- 211.020114 144.4
[M+NH4]+ 230.061213 160.9
[M+K]+ 250.990548 145.5
[M+H-H2O]+ 195.024650 137.0
[M+HCOO]- 257.025591 151.4
[M+CH3COO]- 271.041241 180.0
[M+Na-2H]- 233.002056 143.7
[M]+ 212.02684142 142.6
[M]- 212.02793858 142.6
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.