CID 1757367

10-(4-chlorophenyl)-7-methyl-5h-benzo[c]furo[3,2-g]chromen-5-one

Structural Information

Molecular Formula
C22H13ClO3
SMILES
CC1=C2C(=CC3=C1OC=C3C4=CC=C(C=C4)Cl)C5=CC=CC=C5C(=O)O2
InChI
InChI=1S/C22H13ClO3/c1-12-20-18(19(11-25-20)13-6-8-14(23)9-7-13)10-17-15-4-2-3-5-16(15)22(24)26-21(12)17/h2-11H,1H3
InChIKey
MSZFPMWPGRTGBQ-UHFFFAOYSA-N
Compound name
10-(4-chlorophenyl)-7-methyl-[1]benzofuro[6,5-c]isochromen-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.05533 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.06261 183.8
[M+Na]+ 383.04455 199.4
[M-H]- 359.04805 196.5
[M+NH4]+ 378.08915 200.2
[M+K]+ 399.01849 194.0
[M+H-H2O]+ 343.05259 176.4
[M+HCOO]- 405.05353 202.0
[M+CH3COO]- 419.06918 197.7
[M+Na-2H]- 381.03000 190.7
[M]+ 360.05478 194.7
[M]- 360.05588 194.7
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

No patent data available for this compound.