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

10
Patents

318.04794 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.055216 165.0
[M+Na]+ 341.037158 175.7
[M-H]- 317.040664 164.7
[M+NH4]+ 336.081763 179.6
[M+K]+ 357.011098 169.8
[M+H-H2O]+ 301.045200 153.2
[M+HCOO]- 363.046141 179.7
[M+CH3COO]- 377.061791 205.9
[M+Na-2H]- 339.022606 168.1
[M]+ 318.04739142 158.0
[M]- 318.04848858 158.0
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