CID 143198

2-phenyl-2h-1,2,3,4-tetrazole-5-carboxylic acid

Structural Information

Molecular Formula
C8H6N4O2
SMILES
C1=CC=C(C=C1)N2N=C(N=N2)C(=O)O
InChI
InChI=1S/C8H6N4O2/c13-8(14)7-9-11-12(10-7)6-4-2-1-3-5-6/h1-5H,(H,13,14)
InChIKey
YFIIOEOZTVRRDK-UHFFFAOYSA-N
Compound name
2-phenyltetrazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

190.04907 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.056346 137.6
[M+Na]+ 213.038288 147.1
[M-H]- 189.041794 138.3
[M+NH4]+ 208.082893 152.4
[M+K]+ 229.012228 144.2
[M+H-H2O]+ 173.046330 128.4
[M+HCOO]- 235.047271 157.5
[M+CH3COO]- 249.062921 150.0
[M+Na-2H]- 211.023736 143.7
[M]+ 190.04852142 137.4
[M]- 190.04961858 137.4
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