CID 123365637

2-(3-fluorophenyl)triazole

Structural Information

Molecular Formula
C8H6FN3
SMILES
C1=CC(=CC(=C1)F)N2N=CC=N2
InChI
InChI=1S/C8H6FN3/c9-7-2-1-3-8(6-7)12-10-4-5-11-12/h1-6H
InChIKey
RPTIYJUGBYNDAB-UHFFFAOYSA-N
Compound name
2-(3-fluorophenyl)triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

163.05458 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.06186 129.1
[M+Na]+ 186.04380 139.4
[M-H]- 162.04730 131.0
[M+NH4]+ 181.08840 147.5
[M+K]+ 202.01774 136.3
[M+H-H2O]+ 146.05184 119.7
[M+HCOO]- 208.05278 151.3
[M+CH3COO]- 222.06843 142.8
[M+Na-2H]- 184.02925 136.5
[M]+ 163.05403 127.8
[M]- 163.05513 127.8
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

patents stripe