CID 53442731

4h-benzo[d][1,2,3]triazole-5-carboxylic acid

Structural Information

Molecular Formula
C7H5N3O2
SMILES
C1C(=CC=C2C1=NN=N2)C(=O)O
InChI
InChI=1S/C7H5N3O2/c11-7(12)4-1-2-5-6(3-4)9-10-8-5/h1-2H,3H2,(H,11,12)
InChIKey
SQASHPHWVSAHDM-UHFFFAOYSA-N
Compound name
4H-benzotriazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1141
Patents

163.03818 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.045456 130.3
[M+Na]+ 186.027398 140.4
[M-H]- 162.030904 130.1
[M+NH4]+ 181.072003 149.1
[M+K]+ 202.001338 138.1
[M+H-H2O]+ 146.035440 123.0
[M+HCOO]- 208.036381 150.4
[M+CH3COO]- 222.052031 173.6
[M+Na-2H]- 184.012846 137.7
[M]+ 163.03763142 130.7
[M]- 163.03872858 130.7
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

No patent data available for this compound.