CID 70403

Chlorcyclohexamide

Structural Information

Molecular Formula
C13H17ClN2O3S
SMILES
C1CCC(CC1)NC(=O)NS(=O)(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C13H17ClN2O3S/c14-10-6-8-12(9-7-10)20(18,19)16-13(17)15-11-4-2-1-3-5-11/h6-9,11H,1-5H2,(H2,15,16,17)
InChIKey
TYZHJGCYLYXPSB-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)sulfonyl-3-cyclohexylurea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

14
Patents

316.06485 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.07213 168.0
[M+Na]+ 339.05407 172.7
[M-H]- 315.05757 173.8
[M+NH4]+ 334.09867 182.7
[M+K]+ 355.02801 167.7
[M+H-H2O]+ 299.06211 161.7
[M+HCOO]- 361.06305 179.4
[M+CH3COO]- 375.07870 202.4
[M+Na-2H]- 337.03952 170.8
[M]+ 316.06430 166.8
[M]- 316.06540 166.8
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.