CID 75176209

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

Structural Information

Molecular Formula
C12H12F3N3O
SMILES
CC(C1=CN(N=N1)CC2=CC(=CC=C2)C(F)(F)F)O
InChI
InChI=1S/C12H12F3N3O/c1-8(19)11-7-18(17-16-11)6-9-3-2-4-10(5-9)12(13,14)15/h2-5,7-8,19H,6H2,1H3
InChIKey
QEEYXYCETHMVIQ-UHFFFAOYSA-N
Compound name
1-[1-[[3-(trifluoromethyl)phenyl]methyl]triazol-4-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

271.09326 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.10054 157.4
[M+Na]+ 294.08248 166.5
[M-H]- 270.08598 155.5
[M+NH4]+ 289.12708 170.9
[M+K]+ 310.05642 162.0
[M+H-H2O]+ 254.09052 146.5
[M+HCOO]- 316.09146 172.2
[M+CH3COO]- 330.10711 194.5
[M+Na-2H]- 292.06793 159.9
[M]+ 271.09271 153.9
[M]- 271.09381 153.9
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

No patent data available for this compound.