CID 205202

Brn 0673146

Structural Information

Molecular Formula
C13H11F3N2O
SMILES
CC1=CC(=NN1C(=O)C2=CC=CC=C2C(F)(F)F)C
InChI
InChI=1S/C13H11F3N2O/c1-8-7-9(2)18(17-8)12(19)10-5-3-4-6-11(10)13(14,15)16/h3-7H,1-2H3
InChIKey
RGHYZNGWJINCAA-UHFFFAOYSA-N
Compound name
(3,5-dimethylpyrazol-1-yl)-[2-(trifluoromethyl)phenyl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.08234 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.08962 163.2
[M+Na]+ 291.07156 172.9
[M+NH4]+ 286.11616 167.7
[M+K]+ 307.04550 169.4
[M-H]- 267.07506 160.3
[M+Na-2H]- 289.05701 167.4
[M]+ 268.08179 163.4
[M]- 268.08289 163.4
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.