CID 5043691

N-hydroxy-4-nitrobenzamide

Structural Information

Molecular Formula
C7H6N2O4
SMILES
C1=CC(=CC=C1C(=O)NO)[N+](=O)[O-]
InChI
InChI=1S/C7H6N2O4/c10-7(8-11)5-1-3-6(4-2-5)9(12)13/h1-4,11H,(H,8,10)
InChIKey
NORABPMBUQMZLT-UHFFFAOYSA-N
Compound name
N-hydroxy-4-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

114
Patents

182.03276 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.04004 131.9
[M+Na]+ 205.02198 138.5
[M-H]- 181.02548 134.7
[M+NH4]+ 200.06658 149.8
[M+K]+ 220.99592 133.2
[M+H-H2O]+ 165.03002 130.7
[M+HCOO]- 227.03096 157.5
[M+CH3COO]- 241.04661 172.8
[M+Na-2H]- 203.00743 140.2
[M]+ 182.03221 129.1
[M]- 182.03331 129.1
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