CID 986546

3-[2-(4-chlorophenyl)-2-oxoethoxy]-4-methyl-7,8,9,10-tetrahydro-6h-benzo[c]chromen-6-one

Structural Information

Molecular Formula
C22H19ClO4
SMILES
CC1=C(C=CC2=C1OC(=O)C3=C2CCCC3)OCC(=O)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C22H19ClO4/c1-13-20(26-12-19(24)14-6-8-15(23)9-7-14)11-10-17-16-4-2-3-5-18(16)22(25)27-21(13)17/h6-11H,2-5,12H2,1H3
InChIKey
OUHRMABICFZRKO-UHFFFAOYSA-N
Compound name
3-[2-(4-chlorophenyl)-2-oxoethoxy]-4-methyl-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.0972 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.10448 187.6
[M+Na]+ 405.08642 196.5
[M-H]- 381.08992 196.4
[M+NH4]+ 400.13102 200.8
[M+K]+ 421.06036 191.7
[M+H-H2O]+ 365.09446 179.1
[M+HCOO]- 427.09540 200.2
[M+CH3COO]- 441.11105 198.1
[M+Na-2H]- 403.07187 190.9
[M]+ 382.09665 192.5
[M]- 382.09775 192.5
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.