CID 165900691

4-{4-[3-(trifluoromethyl)phenyl]-2h-1,2,3-triazol-2-yl}phenol

Structural Information

Molecular Formula
C15H10F3N3O
SMILES
C1=CC(=CC(=C1)C(F)(F)F)C2=NN(N=C2)C3=CC=C(C=C3)O
InChI
InChI=1S/C15H10F3N3O/c16-15(17,18)11-3-1-2-10(8-11)14-9-19-21(20-14)12-4-6-13(22)7-5-12/h1-9,22H
InChIKey
JEWCBZSGIOPCJK-UHFFFAOYSA-N
Compound name
4-[4-[3-(trifluoromethyl)phenyl]triazol-2-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

305.0776 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.08488 169.0
[M+Na]+ 328.06682 180.4
[M+NH4]+ 323.11142 173.6
[M+K]+ 344.04076 176.2
[M-H]- 304.07032 167.9
[M+Na-2H]- 326.05227 176.0
[M]+ 305.07705 170.1
[M]- 305.07815 170.1
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.