CID 555192

13947-58-5

Structural Information

Molecular Formula
C8H6N4O2
SMILES
C1=CC=C(C(=C1)C2=NNN=N2)C(=O)O
InChI
InChI=1S/C8H6N4O2/c13-8(14)6-4-2-1-3-5(6)7-9-11-12-10-7/h1-4H,(H,13,14)(H,9,10,11,12)
InChIKey
QRKJBXMXOAQYEC-UHFFFAOYSA-N
Compound name
2-(2H-tetrazol-5-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

43
Patents

190.04907 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.05635 138.9
[M+Na]+ 213.03829 151.0
[M+NH4]+ 208.08289 144.5
[M+K]+ 229.01223 148.8
[M-H]- 189.04179 138.3
[M+Na-2H]- 211.02374 145.5
[M]+ 190.04852 140.0
[M]- 190.04962 140.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe