CID 135544530

2-(1h-tetrazol-5-yl)phenol

Structural Information

Molecular Formula
C7H6N4O
SMILES
C1=CC=C(C(=C1)C2=NNN=N2)O
InChI
InChI=1S/C7H6N4O/c12-6-4-2-1-3-5(6)7-8-10-11-9-7/h1-4,12H,(H,8,9,10,11)
InChIKey
FPUQYVARGFDCGZ-UHFFFAOYSA-N
Compound name
2-(2H-tetrazol-5-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

92
Patents

162.05415 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.06143 132.1
[M+Na]+ 185.04337 145.3
[M+NH4]+ 180.08797 138.9
[M+K]+ 201.01731 141.9
[M-H]- 161.04687 132.5
[M+Na-2H]- 183.02882 140.0
[M]+ 162.05360 133.8
[M]- 162.05470 133.8
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