CID 702717

4-[(2-fluorophenyl)methoxy]benzaldehyde

Structural Information

Molecular Formula
C14H11FO2
SMILES
C1=CC=C(C(=C1)COC2=CC=C(C=C2)C=O)F
InChI
InChI=1S/C14H11FO2/c15-14-4-2-1-3-12(14)10-17-13-7-5-11(9-16)6-8-13/h1-9H,10H2
InChIKey
HSFLULIGUCYNMW-UHFFFAOYSA-N
Compound name
4-[(2-fluorophenyl)methoxy]benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

120
Patents

230.07431 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.081586 147.6
[M+Na]+ 253.063528 156.4
[M-H]- 229.067034 153.4
[M+NH4]+ 248.108133 165.6
[M+K]+ 269.037468 152.6
[M+H-H2O]+ 213.071570 139.5
[M+HCOO]- 275.072511 171.6
[M+CH3COO]- 289.088161 190.2
[M+Na-2H]- 251.048976 153.7
[M]+ 230.07376142 148.6
[M]- 230.07485858 148.6
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