CID 1638402

328022-12-4

Structural Information

Molecular Formula
C20H16Cl2O3
SMILES
C1CCC2=C(C1)C3=C(C=C(C=C3)OCC4=C(C=C(C=C4)Cl)Cl)OC2=O
InChI
InChI=1S/C20H16Cl2O3/c21-13-6-5-12(18(22)9-13)11-24-14-7-8-16-15-3-1-2-4-17(15)20(23)25-19(16)10-14/h5-10H,1-4,11H2
InChIKey
VPABGOUIOCUOSS-UHFFFAOYSA-N
Compound name
3-[(2,4-dichlorophenyl)methoxy]-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.04764 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.05492 183.0
[M+Na]+ 397.03686 193.6
[M-H]- 373.04036 191.3
[M+NH4]+ 392.08146 197.4
[M+K]+ 413.01080 187.5
[M+H-H2O]+ 357.04490 175.4
[M+HCOO]- 419.04584 192.0
[M+CH3COO]- 433.06149 193.9
[M+Na-2H]- 395.02231 187.5
[M]+ 374.04709 188.6
[M]- 374.04819 188.6
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

No patent data available for this compound.