CID 86631574

1000370-24-0

Structural Information

Molecular Formula
C21H16F2O2
SMILES
C1=CC(=CC(=C1)F)CC2=C(C=CC(=C2)C=O)OCC3=CC(=CC=C3)F
InChI
InChI=1S/C21H16F2O2/c22-19-5-1-3-15(11-19)9-18-10-16(13-24)7-8-21(18)25-14-17-4-2-6-20(23)12-17/h1-8,10-13H,9,14H2
InChIKey
VIFRWCOSLMTDSZ-UHFFFAOYSA-N
Compound name
4-[(3-fluorophenyl)methoxy]-3-[(3-fluorophenyl)methyl]benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

338.11185 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.11913 182.8
[M+Na]+ 361.10107 198.2
[M+NH4]+ 356.14567 190.1
[M+K]+ 377.07501 188.2
[M-H]- 337.10457 187.0
[M+Na-2H]- 359.08652 192.5
[M]+ 338.11130 186.3
[M]- 338.11240 186.3
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