CID 10776032

4-(3,5-difluorophenoxy)benzaldehyde

Structural Information

Molecular Formula
C13H8F2O2
SMILES
C1=CC(=CC=C1C=O)OC2=CC(=CC(=C2)F)F
InChI
InChI=1S/C13H8F2O2/c14-10-5-11(15)7-13(6-10)17-12-3-1-9(8-16)2-4-12/h1-8H
InChIKey
UKPNXBRDIBAPGP-UHFFFAOYSA-N
Compound name
4-(3,5-difluorophenoxy)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

234.04924 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.05652 145.6
[M+Na]+ 257.03846 155.8
[M-H]- 233.04196 150.5
[M+NH4]+ 252.08306 163.6
[M+K]+ 273.01240 151.8
[M+H-H2O]+ 217.04650 136.8
[M+HCOO]- 279.04744 168.8
[M+CH3COO]- 293.06309 191.1
[M+Na-2H]- 255.02391 150.9
[M]+ 234.04869 145.4
[M]- 234.04979 145.4
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