CID 3088272

Brn 4184665

Structural Information

Molecular Formula
C9H8FN3O
SMILES
CN1C(=NNC1=O)C2=CC=CC=C2F
InChI
InChI=1S/C9H8FN3O/c1-13-8(11-12-9(13)14)6-4-2-3-5-7(6)10/h2-5H,1H3,(H,12,14)
InChIKey
WGGKIRDKPVCUHJ-UHFFFAOYSA-N
Compound name
3-(2-fluorophenyl)-4-methyl-1H-1,2,4-triazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

193.06514 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.072416 137.4
[M+Na]+ 216.054358 148.8
[M-H]- 192.057864 138.6
[M+NH4]+ 211.098963 154.3
[M+K]+ 232.028298 144.3
[M+H-H2O]+ 176.062400 128.5
[M+HCOO]- 238.063341 158.1
[M+CH3COO]- 252.078991 150.5
[M+Na-2H]- 214.039806 142.1
[M]+ 193.06459142 136.0
[M]- 193.06568858 136.0
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

No patent data available for this compound.