CID 798751

116412-83-0

Structural Information

Molecular Formula
C15H13ClO3
SMILES
COC1=C(C=C(C=C1)C(=O)C2=CC=C(C=C2)Cl)OC
InChI
InChI=1S/C15H13ClO3/c1-18-13-8-5-11(9-14(13)19-2)15(17)10-3-6-12(16)7-4-10/h3-9H,1-2H3
InChIKey
MLLIIHAKTPXMFF-UHFFFAOYSA-N
Compound name
(4-chlorophenyl)-(3,4-dimethoxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

51
Patents

276.05533 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.06261 158.0
[M+Na]+ 299.04455 167.7
[M-H]- 275.04805 165.3
[M+NH4]+ 294.08915 175.3
[M+K]+ 315.01849 163.4
[M+H-H2O]+ 259.05259 151.5
[M+HCOO]- 321.05353 177.4
[M+CH3COO]- 335.06918 198.3
[M+Na-2H]- 297.03000 161.9
[M]+ 276.05478 163.9
[M]- 276.05588 163.9
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