CID 50990651

2-hydroxycyclohexane-1-sulfonyl chloride

Structural Information

Molecular Formula
C6H11ClO3S
SMILES
C1CCC(C(C1)O)S(=O)(=O)Cl
InChI
InChI=1S/C6H11ClO3S/c7-11(9,10)6-4-2-1-3-5(6)8/h5-6,8H,1-4H2
InChIKey
HPXWZMBYQSLXBP-UHFFFAOYSA-N
Compound name
2-hydroxycyclohexane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

198.01175 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.019026 136.7
[M+Na]+ 221.000968 144.2
[M-H]- 197.004474 139.0
[M+NH4]+ 216.045573 156.7
[M+K]+ 236.974908 140.7
[M+H-H2O]+ 181.009010 133.4
[M+HCOO]- 243.009951 146.1
[M+CH3COO]- 257.025601 174.4
[M+Na-2H]- 218.986416 139.6
[M]+ 198.01120142 136.3
[M]- 198.01229858 136.3
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

patents stripe