CID 64713965

(3-chloro-2-fluorophenyl)(2,4-dimethoxyphenyl)methanone

Structural Information

Molecular Formula
C15H12ClFO3
SMILES
COC1=CC(=C(C=C1)C(=O)C2=C(C(=CC=C2)Cl)F)OC
InChI
InChI=1S/C15H12ClFO3/c1-19-9-6-7-10(13(8-9)20-2)15(18)11-4-3-5-12(16)14(11)17/h3-8H,1-2H3
InChIKey
QUUKFPLTTRAPNC-UHFFFAOYSA-N
Compound name
(3-chloro-2-fluorophenyl)-(2,4-dimethoxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

294.0459 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.05318 160.1
[M+Na]+ 317.03512 170.7
[M-H]- 293.03862 166.3
[M+NH4]+ 312.07972 176.8
[M+K]+ 333.00906 166.1
[M+H-H2O]+ 277.04316 152.8
[M+HCOO]- 339.04410 178.4
[M+CH3COO]- 353.05975 202.2
[M+Na-2H]- 315.02057 162.7
[M]+ 294.04535 165.3
[M]- 294.04645 165.3
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

patents stripe