CID 15496731

180859-18-1

Structural Information

Molecular Formula
C7H6N4O
SMILES
C1=CC=C(C(=C1)N2C=NN=N2)O
InChI
InChI=1S/C7H6N4O/c12-7-4-2-1-3-6(7)11-5-8-9-10-11/h1-5,12H
InChIKey
PTYXETGSZJKFDQ-UHFFFAOYSA-N
Compound name
2-(tetrazol-1-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
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

No literature data available for this compound.

Patent stripe

patents stripe