CID 123365637

Refchem:455583

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

67
Patents

163.05458 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.061856 129.1
[M+Na]+ 186.043798 139.4
[M-H]- 162.047304 131.0
[M+NH4]+ 181.088403 147.5
[M+K]+ 202.017738 136.3
[M+H-H2O]+ 146.051840 119.7
[M+HCOO]- 208.052781 151.3
[M+CH3COO]- 222.068431 142.8
[M+Na-2H]- 184.029246 136.5
[M]+ 163.05403142 127.8
[M]- 163.05512858 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