CID 880119

4-[(3-fluorophenyl)methoxy]benzaldehyde

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

4
References

189
Patents

230.07431 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.08159 147.6
[M+Na]+ 253.06353 156.4
[M-H]- 229.06703 153.4
[M+NH4]+ 248.10813 165.6
[M+K]+ 269.03747 152.6
[M+H-H2O]+ 213.07157 139.5
[M+HCOO]- 275.07251 171.6
[M+CH3COO]- 289.08816 190.2
[M+Na-2H]- 251.04898 153.7
[M]+ 230.07376 148.6
[M]- 230.07486 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