CID 91852

56425-84-4

Structural Information

Molecular Formula
C11H11F3O2
SMILES
CC(C)C(=O)C1=CC=C(C=C1)OC(F)(F)F
InChI
InChI=1S/C11H11F3O2/c1-7(2)10(15)8-3-5-9(6-4-8)16-11(12,13)14/h3-7H,1-2H3
InChIKey
LRLLMOWTLDDQIW-UHFFFAOYSA-N
Compound name
2-methyl-1-[4-(trifluoromethoxy)phenyl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

51
Patents

232.07112 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.078396 145.9
[M+Na]+ 255.060338 153.8
[M-H]- 231.063844 145.8
[M+NH4]+ 250.104943 163.9
[M+K]+ 271.034278 152.0
[M+H-H2O]+ 215.068380 137.8
[M+HCOO]- 277.069321 163.7
[M+CH3COO]- 291.084971 191.3
[M+Na-2H]- 253.045786 148.9
[M]+ 232.07057142 143.7
[M]- 232.07166858 143.7
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

patents stripe