CID 601894

10199-91-4

Structural Information

Molecular Formula

C₆H₄N₄O₃

SMILES

C1=C(C2=NON=C2C(=C1)[N+](=O)[O-])N

InChI

InChI=1S/C6H4N4O3/c7-3-1-2-4(10(11)12)6-5(3)8-13-9-6/h1-2H,7H2

InChIKey

YXKOGLINWAPXPE-UHFFFAOYSA-N

Compound name

4-nitro-2,1,3-benzoxadiazol-7-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 10
References: 825
Patents: 180.02834 Da
Monoisotopic Mass: 0.3
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]+	181.03562	129.1
[M+Na]+	203.01756	142.6
[M+NH4]+	198.06216	136.6
[M+K]+	218.99150	142.9
[M-H]-	179.02106	132.7
[M+Na-2H]-	201.00301	134.9
[M]+	180.02779	131.8
[M]-	180.02889	131.8

Literature stripe

literature stripe

Patent stripe

patents stripe