CID 2758262

4-(2,4-difluorophenyl)benzaldehyde

Structural Information

Molecular Formula
C13H8F2O
SMILES
C1=CC(=CC=C1C=O)C2=C(C=C(C=C2)F)F
InChI
InChI=1S/C13H8F2O/c14-11-5-6-12(13(15)7-11)10-3-1-9(8-16)2-4-10/h1-8H
InChIKey
VXWNQBQQPCHIMW-UHFFFAOYSA-N
Compound name
4-(2,4-difluorophenyl)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

218.05432 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.061596 142.0
[M+Na]+ 241.043538 152.3
[M-H]- 217.047044 146.9
[M+NH4]+ 236.088143 160.8
[M+K]+ 257.017478 147.7
[M+H-H2O]+ 201.051580 133.5
[M+HCOO]- 263.052521 165.0
[M+CH3COO]- 277.068171 189.1
[M+Na-2H]- 239.028986 147.3
[M]+ 218.05377142 140.4
[M]- 218.05486858 140.4
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