CID 13000786

55513-24-1

Structural Information

Molecular Formula
C7H6N4O
SMILES
C1=CC=C(C=C1)C2=NN=NN2O
InChI
InChI=1S/C7H6N4O/c12-11-7(8-9-10-11)6-4-2-1-3-5-6/h1-5,12H
InChIKey
PXMQQCLRWUUIGJ-UHFFFAOYSA-N
Compound name
1-hydroxy-5-phenyltetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

162.05415 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.06143 131.6
[M+Na]+ 185.04337 145.3
[M+NH4]+ 180.08797 138.8
[M+K]+ 201.01731 141.7
[M-H]- 161.04687 132.5
[M+Na-2H]- 183.02882 140.1
[M]+ 162.05360 133.6
[M]- 162.05470 133.6
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