CID 10978837

6185-76-8

Structural Information

Molecular Formula
C15H11F3O2
SMILES
COC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C(F)(F)F
InChI
InChI=1S/C15H11F3O2/c1-20-13-8-4-11(5-9-13)14(19)10-2-6-12(7-3-10)15(16,17)18/h2-9H,1H3
InChIKey
IDGRRJWQDJEWGN-UHFFFAOYSA-N
Compound name
(4-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

23
Patents

280.0711 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.07838 158.7
[M+Na]+ 303.06032 167.4
[M-H]- 279.06382 161.9
[M+NH4]+ 298.10492 174.6
[M+K]+ 319.03426 163.4
[M+H-H2O]+ 263.06836 149.0
[M+HCOO]- 325.06930 177.6
[M+CH3COO]- 339.08495 199.2
[M+Na-2H]- 301.04577 162.5
[M]+ 280.07055 156.5
[M]- 280.07165 156.5
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.