CID 5008489

Hydrazinecarboxaldehyde, 2-(4-nitrophenyl)-

Structural Information

Molecular Formula
C7H7N3O3
SMILES
C1=CC(=CC=C1NNC=O)[N+](=O)[O-]
InChI
InChI=1S/C7H7N3O3/c11-5-8-9-6-1-3-7(4-2-6)10(12)13/h1-5,9H,(H,8,11)
InChIKey
OOZGXMAMKUQKGJ-UHFFFAOYSA-N
Compound name
N-(4-nitroanilino)formamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

49
Patents

181.04874 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.05602 131.4
[M+Na]+ 204.03796 137.7
[M-H]- 180.04146 135.3
[M+NH4]+ 199.08256 149.6
[M+K]+ 220.01190 132.2
[M+H-H2O]+ 164.04600 129.4
[M+HCOO]- 226.04694 160.1
[M+CH3COO]- 240.06259 178.3
[M+Na-2H]- 202.02341 141.6
[M]+ 181.04819 128.9
[M]- 181.04929 128.9
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