CID 12195517

3-(4-fluorophenyl)-5-phenyl-4h-1,2,4-triazole

Structural Information

Molecular Formula
C14H10FN3
SMILES
C1=CC=C(C=C1)C2=NNC(=N2)C3=CC=C(C=C3)F
InChI
InChI=1S/C14H10FN3/c15-12-8-6-11(7-9-12)14-16-13(17-18-14)10-4-2-1-3-5-10/h1-9H,(H,16,17,18)
InChIKey
KMGPJKOKSYGMJD-UHFFFAOYSA-N
Compound name
5-(4-fluorophenyl)-3-phenyl-1H-1,2,4-triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

239.08588 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.09316 151.0
[M+Na]+ 262.07510 160.5
[M-H]- 238.07860 154.7
[M+NH4]+ 257.11970 165.3
[M+K]+ 278.04904 154.0
[M+H-H2O]+ 222.08314 140.4
[M+HCOO]- 284.08408 171.0
[M+CH3COO]- 298.09973 162.7
[M+Na-2H]- 260.06055 156.3
[M]+ 239.08533 147.8
[M]- 239.08643 147.8
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

patents stripe