CID 59551825

Dtxsid701019613

Structural Information

Molecular Formula
C17H16ClFO3
SMILES
CC(=O)C1=C(C=C(C(=C1)CC2=C(C(=CC=C2)Cl)F)OC)OC
InChI
InChI=1S/C17H16ClFO3/c1-10(20)13-8-12(15(21-2)9-16(13)22-3)7-11-5-4-6-14(18)17(11)19/h4-6,8-9H,7H2,1-3H3
InChIKey
RLCJXIYWSSMZDH-UHFFFAOYSA-N
Compound name
1-[5-[(3-chloro-2-fluorophenyl)methyl]-2,4-dimethoxyphenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

322.0772 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.08448 168.9
[M+Na]+ 345.06642 179.5
[M-H]- 321.06992 175.1
[M+NH4]+ 340.11102 184.8
[M+K]+ 361.04036 174.6
[M+H-H2O]+ 305.07446 161.4
[M+HCOO]- 367.07540 186.5
[M+CH3COO]- 381.09105 209.3
[M+Na-2H]- 343.05187 169.7
[M]+ 322.07665 175.3
[M]- 322.07775 175.3
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