CID 542910

4-(1h-1,2,3,4-tetrazol-1-yl)phenol

Structural Information

Molecular Formula
C7H6N4O
SMILES
C1=CC(=CC=C1N2C=NN=N2)O
InChI
InChI=1S/C7H6N4O/c12-7-3-1-6(2-4-7)11-5-8-9-10-11/h1-5,12H
InChIKey
AXJKWXIVFCNRCQ-UHFFFAOYSA-N
Compound name
4-(tetrazol-1-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

213
Patents

162.05415 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.06143 131.0
[M+Na]+ 185.04337 141.1
[M-H]- 161.04687 131.7
[M+NH4]+ 180.08797 147.2
[M+K]+ 201.01731 138.0
[M+H-H2O]+ 145.05141 122.0
[M+HCOO]- 207.05235 151.8
[M+CH3COO]- 221.06800 144.0
[M+Na-2H]- 183.02882 138.8
[M]+ 162.05360 130.3
[M]- 162.05470 130.3
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