CID 2787761

2-chloro-4'-nitrobenzanilide

Structural Information

Molecular Formula
C13H9ClN2O3
SMILES
C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])Cl
InChI
InChI=1S/C13H9ClN2O3/c14-12-4-2-1-3-11(12)13(17)15-9-5-7-10(8-6-9)16(18)19/h1-8H,(H,15,17)
InChIKey
JKUFTSLAJUZNNM-UHFFFAOYSA-N
Compound name
2-chloro-N-(4-nitrophenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

4
Patents

276.03018 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.03746 158.4
[M+Na]+ 299.01940 165.2
[M-H]- 275.02290 165.0
[M+NH4]+ 294.06400 173.8
[M+K]+ 314.99334 156.7
[M+H-H2O]+ 259.02744 156.2
[M+HCOO]- 321.02838 179.9
[M+CH3COO]- 335.04403 192.4
[M+Na-2H]- 297.00485 165.0
[M]+ 276.02963 158.4
[M]- 276.03073 158.4
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