CID 782917

3-[(4-chlorophenyl)methoxy]benzo[c]chromen-6-one

Structural Information

Molecular Formula
C20H13ClO3
SMILES
C1=CC=C2C(=C1)C3=C(C=C(C=C3)OCC4=CC=C(C=C4)Cl)OC2=O
InChI
InChI=1S/C20H13ClO3/c21-14-7-5-13(6-8-14)12-23-15-9-10-17-16-3-1-2-4-18(16)20(22)24-19(17)11-15/h1-11H,12H2
InChIKey
HQJJUJHNHSTBOW-UHFFFAOYSA-N
Compound name
3-[(4-chlorophenyl)methoxy]benzo[c]chromen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.05533 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.06261 174.7
[M+Na]+ 359.04455 187.1
[M-H]- 335.04805 184.6
[M+NH4]+ 354.08915 190.1
[M+K]+ 375.01849 181.4
[M+H-H2O]+ 319.05259 166.3
[M+HCOO]- 381.05353 192.9
[M+CH3COO]- 395.06918 187.6
[M+Na-2H]- 357.03000 183.6
[M]+ 336.05478 182.6
[M]- 336.05588 182.6
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.