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

25
Patents

198.01175 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.01903 136.7
[M+Na]+ 221.00097 144.2
[M-H]- 197.00447 139.0
[M+NH4]+ 216.04557 156.7
[M+K]+ 236.97491 140.7
[M+H-H2O]+ 181.00901 133.4
[M+HCOO]- 243.00995 146.1
[M+CH3COO]- 257.02560 174.4
[M+Na-2H]- 218.98642 139.6
[M]+ 198.01120 136.3
[M]- 198.01230 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