CID 135496810

5097-82-5

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

5
References

2823
Patents

162.05415 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.06143 130.7
[M+Na]+ 185.04337 141.1
[M-H]- 161.04687 131.4
[M+NH4]+ 180.08797 146.8
[M+K]+ 201.01731 137.4
[M+H-H2O]+ 145.05141 121.7
[M+HCOO]- 207.05235 151.6
[M+CH3COO]- 221.06800 143.7
[M+Na-2H]- 183.02882 138.4
[M]+ 162.05360 129.3
[M]- 162.05470 129.3
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