CID 22009566

32863-21-1

Structural Information

Molecular Formula

C₇H₄N₂O₃

SMILES

C1=CC2=NON=C2C(=C1)C(=O)O

InChI

InChI=1S/C7H4N2O3/c10-7(11)4-2-1-3-5-6(4)9-12-8-5/h1-3H,(H,10,11)

InChIKey

NGPYWZBQSYAKKK-UHFFFAOYSA-N

Compound name

2,1,3-benzoxadiazole-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 83
Patents: 164.02219 Da
Monoisotopic Mass: 0.7
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]+	165.02947	128.3
[M+Na]+	187.01141	141.6
[M+NH4]+	182.05601	135.7
[M+K]+	202.98535	139.2
[M-H]-	163.01491	129.4
[M+Na-2H]-	184.99686	134.0
[M]+	164.02164	130.3
[M]-	164.02274	130.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe