CID 3308401

128040-46-0

Structural Information

Molecular Formula
C15H13FO3
SMILES
COC1=CC(=C(C=C1)C(=O)CC2=CC=C(C=C2)F)O
InChI
InChI=1S/C15H13FO3/c1-19-12-6-7-13(15(18)9-12)14(17)8-10-2-4-11(16)5-3-10/h2-7,9,18H,8H2,1H3
InChIKey
HWPITLFFNWCPCP-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-1-(2-hydroxy-4-methoxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.08487 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.09215 155.7
[M+Na]+ 283.07409 164.1
[M-H]- 259.07759 160.3
[M+NH4]+ 278.11869 171.9
[M+K]+ 299.04803 160.4
[M+H-H2O]+ 243.08213 147.7
[M+HCOO]- 305.08307 177.0
[M+CH3COO]- 319.09872 194.8
[M+Na-2H]- 281.05954 158.8
[M]+ 260.08432 156.3
[M]- 260.08542 156.3
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

No patent data available for this compound.