CID 385479

Nsc676715

Structural Information

Molecular Formula
C8H7N3O2
SMILES
C1=CC=C(C=C1)C2=NNC(=O)N2O
InChI
InChI=1S/C8H7N3O2/c12-8-10-9-7(11(8)13)6-4-2-1-3-5-6/h1-5,13H,(H,10,12)
InChIKey
LDQUXIWHMSINFK-UHFFFAOYSA-N
Compound name
4-hydroxy-3-phenyl-1H-1,2,4-triazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.05383 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.06111 134.1
[M+Na]+ 200.04305 144.5
[M-H]- 176.04655 135.2
[M+NH4]+ 195.08765 150.7
[M+K]+ 216.01699 140.4
[M+H-H2O]+ 160.05109 126.3
[M+HCOO]- 222.05203 154.9
[M+CH3COO]- 236.06768 147.1
[M+Na-2H]- 198.02850 140.3
[M]+ 177.05328 132.6
[M]- 177.05438 132.6
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

No patent data available for this compound.