CID 2894944

Ethyl [(2-chloro-6-oxo-7,8,9,10-tetrahydro-6h-benzo[c]chromen-3-yl)oxy](phenyl)acetate

Structural Information

Molecular Formula
C23H21ClO5
SMILES
CCOC(=O)C(C1=CC=CC=C1)OC2=C(C=C3C4=C(CCCC4)C(=O)OC3=C2)Cl
InChI
InChI=1S/C23H21ClO5/c1-2-27-23(26)21(14-8-4-3-5-9-14)28-20-13-19-17(12-18(20)24)15-10-6-7-11-16(15)22(25)29-19/h3-5,8-9,12-13,21H,2,6-7,10-11H2,1H3
InChIKey
ABZNNZPNAZMHGY-UHFFFAOYSA-N
Compound name
ethyl 2-[(2-chloro-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.10776 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.11504 194.2
[M+Na]+ 435.09698 201.2
[M-H]- 411.10048 202.5
[M+NH4]+ 430.14158 205.7
[M+K]+ 451.07092 197.5
[M+H-H2O]+ 395.10502 185.3
[M+HCOO]- 457.10596 205.6
[M+CH3COO]- 471.12161 223.7
[M+Na-2H]- 433.08243 196.7
[M]+ 412.10721 199.8
[M]- 412.10831 199.8
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

No patent data available for this compound.