CID 2787942

2-chloro-n-(2-methylcyclohexyl)benzamide

Structural Information

Molecular Formula
C14H18ClNO
SMILES
CC1CCCCC1NC(=O)C2=CC=CC=C2Cl
InChI
InChI=1S/C14H18ClNO/c1-10-6-2-5-9-13(10)16-14(17)11-7-3-4-8-12(11)15/h3-4,7-8,10,13H,2,5-6,9H2,1H3,(H,16,17)
InChIKey
GSLAYCGLDVERIV-UHFFFAOYSA-N
Compound name
2-chloro-N-(2-methylcyclohexyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

251.1077 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.114976 157.6
[M+Na]+ 274.096918 163.0
[M-H]- 250.100424 163.3
[M+NH4]+ 269.141523 175.1
[M+K]+ 290.070858 158.2
[M+H-H2O]+ 234.104960 151.1
[M+HCOO]- 296.105901 173.5
[M+CH3COO]- 310.121551 195.3
[M+Na-2H]- 272.082366 159.8
[M]+ 251.10715142 154.6
[M]- 251.10824858 154.6
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