CID 306824

3-chloro-n-cyclohexylbenzamide

Structural Information

Molecular Formula
C13H16ClNO
SMILES
C1CCC(CC1)NC(=O)C2=CC(=CC=C2)Cl
InChI
InChI=1S/C13H16ClNO/c14-11-6-4-5-10(9-11)13(16)15-12-7-2-1-3-8-12/h4-6,9,12H,1-3,7-8H2,(H,15,16)
InChIKey
OVLRIRXRCDDACZ-UHFFFAOYSA-N
Compound name
3-chloro-N-cyclohexylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

237.09204 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.099316 153.1
[M+Na]+ 260.081258 158.0
[M-H]- 236.084764 158.7
[M+NH4]+ 255.125863 170.9
[M+K]+ 276.055198 153.4
[M+H-H2O]+ 220.089300 146.6
[M+HCOO]- 282.090241 169.4
[M+CH3COO]- 296.105891 191.1
[M+Na-2H]- 258.066706 156.6
[M]+ 237.09149142 149.4
[M]- 237.09258858 149.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe