CID 13455763

96859-34-6

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

84
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 131.7
[M+Na]+ 185.04337 141.4
[M-H]- 161.04687 131.0
[M+NH4]+ 180.08797 147.2
[M+K]+ 201.01731 137.4
[M+H-H2O]+ 145.05141 123.0
[M+HCOO]- 207.05235 151.0
[M+CH3COO]- 221.06800 144.0
[M+Na-2H]- 183.02882 139.0
[M]+ 162.05360 129.2
[M]- 162.05470 129.2
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