CID 2782712

90035-34-0

Structural Information

Molecular Formula
C14H9F3O
SMILES
C1=CC(=CC=C1C=O)C2=CC=C(C=C2)C(F)(F)F
InChI
InChI=1S/C14H9F3O/c15-14(16,17)13-7-5-12(6-8-13)11-3-1-10(9-18)2-4-11/h1-9H
InChIKey
HIMSXOOFWOOYFK-UHFFFAOYSA-N
Compound name
4-[4-(trifluoromethyl)phenyl]benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

274
Patents

250.06055 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.06783 158.6
[M+Na]+ 273.04977 170.6
[M+NH4]+ 268.09437 165.0
[M+K]+ 289.02371 163.2
[M-H]- 249.05327 158.3
[M+Na-2H]- 271.03522 165.8
[M]+ 250.06000 160.2
[M]- 250.06110 160.2
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