CID 136302344

68535-39-7

Structural Information

Molecular Formula
C8H6N4O3
SMILES
C1=CC(=C(C=C1C2=NNN=N2)C(=O)O)O
InChI
InChI=1S/C8H6N4O3/c13-6-2-1-4(3-5(6)8(14)15)7-9-11-12-10-7/h1-3,13H,(H,14,15)(H,9,10,11,12)
InChIKey
ZFXPNVWAVFNWNC-UHFFFAOYSA-N
Compound name
2-hydroxy-5-(2H-tetrazol-5-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

206.04399 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.05127 141.9
[M+Na]+ 229.03321 151.3
[M-H]- 205.03671 140.5
[M+NH4]+ 224.07781 154.9
[M+K]+ 245.00715 147.2
[M+H-H2O]+ 189.04125 133.5
[M+HCOO]- 251.04219 159.0
[M+CH3COO]- 265.05784 176.4
[M+Na-2H]- 227.01866 146.4
[M]+ 206.04344 139.8
[M]- 206.04454 139.8
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