CID 710875

2-chloro-n-(3,4-dimethylphenyl)-4-nitrobenzamide

Structural Information

Molecular Formula
C15H13ClN2O3
SMILES
CC1=C(C=C(C=C1)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)C
InChI
InChI=1S/C15H13ClN2O3/c1-9-3-4-11(7-10(9)2)17-15(19)13-6-5-12(18(20)21)8-14(13)16/h3-8H,1-2H3,(H,17,19)
InChIKey
RYAOWQFQAVOYTF-UHFFFAOYSA-N
Compound name
2-chloro-N-(3,4-dimethylphenyl)-4-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

3
Patents

304.06146 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.06874 167.6
[M+Na]+ 327.05068 175.4
[M-H]- 303.05418 174.6
[M+NH4]+ 322.09528 182.5
[M+K]+ 343.02462 166.6
[M+H-H2O]+ 287.05872 165.5
[M+HCOO]- 349.05966 188.5
[M+CH3COO]- 363.07531 200.8
[M+Na-2H]- 325.03613 171.8
[M]+ 304.06091 169.1
[M]- 304.06201 169.1
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