CID 587374

3-chloro-n-(2-methylpropyl)benzamide

Structural Information

Molecular Formula
C11H14ClNO
SMILES
CC(C)CNC(=O)C1=CC(=CC=C1)Cl
InChI
InChI=1S/C11H14ClNO/c1-8(2)7-13-11(14)9-4-3-5-10(12)6-9/h3-6,8H,7H2,1-2H3,(H,13,14)
InChIKey
JAKFOVZBAWHMCQ-UHFFFAOYSA-N
Compound name
3-chloro-N-(2-methylpropyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

211.07639 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.083666 146.0
[M+Na]+ 234.065608 153.3
[M-H]- 210.069114 149.6
[M+NH4]+ 229.110213 165.6
[M+K]+ 250.039548 149.7
[M+H-H2O]+ 194.073650 140.9
[M+HCOO]- 256.074591 164.9
[M+CH3COO]- 270.090241 189.3
[M+Na-2H]- 232.051056 149.8
[M]+ 211.07584142 147.8
[M]- 211.07693858 147.8
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