CID 3863754

4-[3,5-bis(trifluoromethyl)phenyl]benzaldehyde

Structural Information

Molecular Formula
C15H8F6O
SMILES
C1=CC(=CC=C1C=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C15H8F6O/c16-14(17,18)12-5-11(6-13(7-12)15(19,20)21)10-3-1-9(8-22)2-4-10/h1-8H
InChIKey
BKHTWWULTHMEDG-UHFFFAOYSA-N
Compound name
4-[3,5-bis(trifluoromethyl)phenyl]benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

318.04794 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.05522 179.7
[M+Na]+ 341.03716 186.5
[M+NH4]+ 336.08176 182.2
[M+K]+ 357.01110 181.0
[M-H]- 317.04066 174.9
[M+Na-2H]- 339.02261 182.0
[M]+ 318.04739 179.1
[M]- 318.04849 179.1
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