CID 2788475

Methylethyl 2-(6-chloro-2-oxo-4-phenylchromen-7-yloxy)acetate

Structural Information

Molecular Formula
C20H17ClO5
SMILES
CC(C)OC(=O)COC1=C(C=C2C(=CC(=O)OC2=C1)C3=CC=CC=C3)Cl
InChI
InChI=1S/C20H17ClO5/c1-12(2)25-20(23)11-24-18-10-17-15(8-16(18)21)14(9-19(22)26-17)13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3
InChIKey
QSWWYYATOGIYCQ-UHFFFAOYSA-N
Compound name
propan-2-yl 2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxyacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.07645 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.08373 183.0
[M+Na]+ 395.06567 192.5
[M-H]- 371.06917 191.8
[M+NH4]+ 390.11027 195.8
[M+K]+ 411.03961 189.3
[M+H-H2O]+ 355.07371 175.2
[M+HCOO]- 417.07465 199.0
[M+CH3COO]- 431.09030 216.1
[M+Na-2H]- 393.05112 186.3
[M]+ 372.07590 192.0
[M]- 372.07700 192.0
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.