CID 347041

N-butyl-2-chlorobenzamide

Structural Information

Molecular Formula
C11H14ClNO
SMILES
CCCCNC(=O)C1=CC=CC=C1Cl
InChI
InChI=1S/C11H14ClNO/c1-2-3-8-13-11(14)9-6-4-5-7-10(9)12/h4-7H,2-3,8H2,1H3,(H,13,14)
InChIKey
PERRBGDAOVSLIV-UHFFFAOYSA-N
Compound name
N-butyl-2-chlorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

28
Patents

211.07639 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.083666 146.0
[M+Na]+ 234.065608 153.6
[M-H]- 210.069114 149.4
[M+NH4]+ 229.110213 165.6
[M+K]+ 250.039548 149.4
[M+H-H2O]+ 194.073650 140.8
[M+HCOO]- 256.074591 165.9
[M+CH3COO]- 270.090241 188.4
[M+Na-2H]- 232.051056 151.0
[M]+ 211.07584142 148.3
[M]- 211.07693858 148.3
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