CID 2759518

124211-72-9

Structural Information

Molecular Formula
C11H11F3O
SMILES
CC(C)C1=CC=C(C=C1)C(=O)C(F)(F)F
InChI
InChI=1S/C11H11F3O/c1-7(2)8-3-5-9(6-4-8)10(15)11(12,13)14/h3-7H,1-2H3
InChIKey
JXAARZPBEHNXIL-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-1-(4-propan-2-ylphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

216.0762 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.083476 142.4
[M+Na]+ 239.065418 150.4
[M-H]- 215.068924 142.4
[M+NH4]+ 234.110023 161.1
[M+K]+ 255.039358 148.0
[M+H-H2O]+ 199.073460 134.6
[M+HCOO]- 261.074401 160.0
[M+CH3COO]- 275.090051 189.3
[M+Na-2H]- 237.050866 145.4
[M]+ 216.07565142 138.8
[M]- 216.07674858 138.8
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