CID 3674192

60702-35-4

Structural Information

Molecular Formula

C₇H₇N₃O₃

SMILES

C1=CC=C(C(=C1)NNC=O)[N+](=O)[O-]

InChI

InChI=1S/C7H7N3O3/c11-5-8-9-6-3-1-2-4-7(6)10(12)13/h1-5,9H,(H,8,11)

InChIKey

POYBFMZEAPIAGM-UHFFFAOYSA-N

Compound name

N-(2-nitroanilino)formamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 181.04874 Da
Monoisotopic Mass: 1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	182.05602	133.6
[M+Na]+	204.03796	144.9
[M+NH4]+	199.08256	141.0
[M+K]+	220.01190	142.2
[M-H]-	180.04146	137.2
[M+Na-2H]-	202.02341	140.2
[M]+	181.04819	135.8
[M]-	181.04929	135.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe