CID 62198289

2-[(2,4-difluorophenyl)methoxy]benzaldehyde

Structural Information

Molecular Formula
C14H10F2O2
SMILES
C1=CC=C(C(=C1)C=O)OCC2=C(C=C(C=C2)F)F
InChI
InChI=1S/C14H10F2O2/c15-12-6-5-11(13(16)7-12)9-18-14-4-2-1-3-10(14)8-17/h1-8H,9H2
InChIKey
KGVJYFIVCXEBQO-UHFFFAOYSA-N
Compound name
2-[(2,4-difluorophenyl)methoxy]benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

248.06488 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.072156 150.3
[M+Na]+ 271.054098 160.1
[M-H]- 247.057604 155.0
[M+NH4]+ 266.098703 167.8
[M+K]+ 287.028038 155.8
[M+H-H2O]+ 231.062140 141.3
[M+HCOO]- 293.063081 173.2
[M+CH3COO]- 307.078731 194.1
[M+Na-2H]- 269.039546 155.1
[M]+ 248.06433142 150.5
[M]- 248.06542858 150.5
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