CID 11208479

37975-19-2

Structural Information

Molecular Formula
C16H13ClO3
SMILES
COC1=CC=C(C=C1)C(=O)CC(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C16H13ClO3/c1-20-14-8-4-12(5-9-14)16(19)10-15(18)11-2-6-13(17)7-3-11/h2-9H,10H2,1H3
InChIKey
HXLJEXGLRWDMDB-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-3-(4-methoxyphenyl)propane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

288.05533 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.06261 161.7
[M+Na]+ 311.04455 170.0
[M-H]- 287.04805 168.5
[M+NH4]+ 306.08915 178.0
[M+K]+ 327.01849 165.4
[M+H-H2O]+ 271.05259 155.0
[M+HCOO]- 333.05353 180.0
[M+CH3COO]- 347.06918 200.2
[M+Na-2H]- 309.03000 164.5
[M]+ 288.05478 166.3
[M]- 288.05588 166.3
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