CID 75176213

1443291-23-3

Structural Information

Molecular Formula
C12H10F3N3O
SMILES
CC(=O)C1=CN(N=N1)CC2=CC(=CC=C2)C(F)(F)F
InChI
InChI=1S/C12H10F3N3O/c1-8(19)11-7-18(17-16-11)6-9-3-2-4-10(5-9)12(13,14)15/h2-5,7H,6H2,1H3
InChIKey
DTOOQHNUJFCZNK-UHFFFAOYSA-N
Compound name
1-[1-[[3-(trifluoromethyl)phenyl]methyl]triazol-4-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.0776 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.08488 160.6
[M+Na]+ 292.06682 169.9
[M+NH4]+ 287.11142 164.6
[M+K]+ 308.04076 166.9
[M-H]- 268.07032 157.0
[M+Na-2H]- 290.05227 165.0
[M]+ 269.07705 160.5
[M]- 269.07815 160.5
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.