CID 11949512

Schembl12155347

Structural Information

Molecular Formula
C24H18Cl2O4
SMILES
COC1=CC2=C(C=C1)C(=C(C(=O)O2)CC3=CC(=CC=C3)Cl)OCC4=CC(=CC=C4)Cl
InChI
InChI=1S/C24H18Cl2O4/c1-28-19-8-9-20-22(13-19)30-24(27)21(12-15-4-2-6-17(25)10-15)23(20)29-14-16-5-3-7-18(26)11-16/h2-11,13H,12,14H2,1H3
InChIKey
BHWBAJHQARRUEK-UHFFFAOYSA-N
Compound name
4-[(3-chlorophenyl)methoxy]-3-[(3-chlorophenyl)methyl]-7-methoxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

440.05823 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.06551 202.6
[M+Na]+ 463.04745 214.0
[M-H]- 439.05095 213.6
[M+NH4]+ 458.09205 213.2
[M+K]+ 479.02139 208.0
[M+H-H2O]+ 423.05549 193.2
[M+HCOO]- 485.05643 214.6
[M+CH3COO]- 499.07208 213.1
[M+Na-2H]- 461.03290 205.4
[M]+ 440.05768 212.8
[M]- 440.05878 212.8
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