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 165.0
[M+Na]+ 341.03716 175.7
[M-H]- 317.04066 164.7
[M+NH4]+ 336.08176 179.6
[M+K]+ 357.01110 169.8
[M+H-H2O]+ 301.04520 153.2
[M+HCOO]- 363.04614 179.7
[M+CH3COO]- 377.06179 205.9
[M+Na-2H]- 339.02261 168.1
[M]+ 318.04739 158.0
[M]- 318.04849 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