CID 122361

29378-25-4

Structural Information

Molecular Formula
C13H8Cl2N2O4
SMILES
C1=CC(=C(C(=C1)[N+](=O)[O-])O)C(=O)NC2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C13H8Cl2N2O4/c14-9-5-4-7(6-10(9)15)16-13(19)8-2-1-3-11(12(8)18)17(20)21/h1-6,18H,(H,16,19)
InChIKey
XCMXIMZPXHICKW-UHFFFAOYSA-N
Compound name
N-(3,4-dichlorophenyl)-2-hydroxy-3-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

325.9861 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.993376 167.3
[M+Na]+ 348.975318 175.2
[M-H]- 324.978824 172.3
[M+NH4]+ 344.019923 180.8
[M+K]+ 364.949258 165.8
[M+H-H2O]+ 308.983360 166.6
[M+HCOO]- 370.984301 182.4
[M+CH3COO]- 384.999951 198.8
[M+Na-2H]- 346.960766 171.4
[M]+ 325.98555142 169.0
[M]- 325.98664858 169.0
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