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

58
Patents

211.07639 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.08367 146.0
[M+Na]+ 234.06561 153.6
[M-H]- 210.06911 149.4
[M+NH4]+ 229.11021 165.6
[M+K]+ 250.03955 149.4
[M+H-H2O]+ 194.07365 140.8
[M+HCOO]- 256.07459 165.9
[M+CH3COO]- 270.09024 188.4
[M+Na-2H]- 232.05106 151.0
[M]+ 211.07584 148.3
[M]- 211.07694 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