CID 6481676

1-(4-fluorophenyl)-2-(triazol-2-yl)ethanone

Structural Information

Molecular Formula
C10H8FN3O
SMILES
C1=CC(=CC=C1C(=O)CN2N=CC=N2)F
InChI
InChI=1S/C10H8FN3O/c11-9-3-1-8(2-4-9)10(15)7-14-12-5-6-13-14/h1-6H,7H2
InChIKey
GBQXXBXXRVUBGF-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-2-(triazol-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.06514 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.07242 140.8
[M+Na]+ 228.05436 150.1
[M-H]- 204.05786 142.6
[M+NH4]+ 223.09896 157.2
[M+K]+ 244.02830 146.8
[M+H-H2O]+ 188.06240 131.0
[M+HCOO]- 250.06334 161.7
[M+CH3COO]- 264.07899 184.0
[M+Na-2H]- 226.03981 145.9
[M]+ 205.06459 140.2
[M]- 205.06569 140.2
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.