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]+ 194.07242 137.4
[M+Na]+ 216.05436 148.8
[M-H]- 192.05786 138.6
[M+NH4]+ 211.09896 154.3
[M+K]+ 232.02830 144.3
[M+H-H2O]+ 176.06240 128.5
[M+HCOO]- 238.06334 158.1
[M+CH3COO]- 252.07899 150.5
[M+Na-2H]- 214.03981 142.1
[M]+ 193.06459 136.0
[M]- 193.06569 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.