CID 737536

321432-05-7

Structural Information

Molecular Formula
C15H13FO3
SMILES
COC1=C(C=CC(=C1)C=O)OCC2=CC=C(C=C2)F
InChI
InChI=1S/C15H13FO3/c1-18-15-8-12(9-17)4-7-14(15)19-10-11-2-5-13(16)6-3-11/h2-9H,10H2,1H3
InChIKey
PGCCPVWYLPJNBO-UHFFFAOYSA-N
Compound name
4-[(4-fluorophenyl)methoxy]-3-methoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

24
Patents

260.08487 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.09215 155.2
[M+Na]+ 283.07409 164.4
[M-H]- 259.07759 161.2
[M+NH4]+ 278.11869 172.2
[M+K]+ 299.04803 161.0
[M+H-H2O]+ 243.08213 146.8
[M+HCOO]- 305.08307 179.1
[M+CH3COO]- 319.09872 196.4
[M+Na-2H]- 281.05954 160.0
[M]+ 260.08432 158.4
[M]- 260.08542 158.4
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