CID 487738

N-(3,4-dichlorophenyl)-2-hydroxy-5-nitrobenzamide

Structural Information

Molecular Formula
C13H8Cl2N2O4
SMILES
C1=CC(=C(C=C1NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])O)Cl)Cl
InChI
InChI=1S/C13H8Cl2N2O4/c14-10-3-1-7(5-11(10)15)16-13(19)9-6-8(17(20)21)2-4-12(9)18/h1-6,18H,(H,16,19)
InChIKey
WQIGTUIMBVUVFK-UHFFFAOYSA-N
Compound name
N-(3,4-dichlorophenyl)-2-hydroxy-5-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

325.9861 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.99338 167.3
[M+Na]+ 348.97532 175.2
[M-H]- 324.97882 172.3
[M+NH4]+ 344.01992 180.8
[M+K]+ 364.94926 165.8
[M+H-H2O]+ 308.98336 166.6
[M+HCOO]- 370.98430 182.4
[M+CH3COO]- 384.99995 198.8
[M+Na-2H]- 346.96077 171.4
[M]+ 325.98555 169.0
[M]- 325.98665 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