CID 3552304

N-butyl-3-chlorobenzamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

211.07639 Da
Monoisotopic Mass

2.7
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

No literature data available for this compound.

Patent stripe

patents stripe