CID 2735454

2,1,3-benzoxadiazole-5-carboxylic acid

Structural Information

Molecular Formula
C7H4N2O3
SMILES
C1=CC2=NON=C2C=C1C(=O)O
InChI
InChI=1S/C7H4N2O3/c10-7(11)4-1-2-5-6(3-4)9-12-8-5/h1-3H,(H,10,11)
InChIKey
WZUFYJFTOVGJJT-UHFFFAOYSA-N
Compound name
2,1,3-benzoxadiazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

333
Patents

164.02219 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.02947 127.0
[M+Na]+ 187.01141 138.2
[M-H]- 163.01491 129.3
[M+NH4]+ 182.05601 146.0
[M+K]+ 202.98535 137.2
[M+H-H2O]+ 147.01945 120.7
[M+HCOO]- 209.02039 149.2
[M+CH3COO]- 223.03604 172.5
[M+Na-2H]- 184.99686 136.3
[M]+ 164.02164 130.4
[M]- 164.02274 130.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe