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]+ 249.07216 150.3
[M+Na]+ 271.05410 160.1
[M-H]- 247.05760 155.0
[M+NH4]+ 266.09870 167.8
[M+K]+ 287.02804 155.8
[M+H-H2O]+ 231.06214 141.3
[M+HCOO]- 293.06308 173.2
[M+CH3COO]- 307.07873 194.1
[M+Na-2H]- 269.03955 155.1
[M]+ 248.06433 150.5
[M]- 248.06543 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