CID 54689752

6-chloro-4-hydroxy-7-methyl-3-[(e)-3-(3-phenoxyphenyl)prop-2-enoyl]chromen-2-one

Structural Information

Molecular Formula
C25H17ClO5
SMILES
CC1=CC2=C(C=C1Cl)C(=C(C(=O)O2)C(=O)/C=C/C3=CC(=CC=C3)OC4=CC=CC=C4)O
InChI
InChI=1S/C25H17ClO5/c1-15-12-22-19(14-20(15)26)24(28)23(25(29)31-22)21(27)11-10-16-6-5-9-18(13-16)30-17-7-3-2-4-8-17/h2-14,28H,1H3/b11-10+
InChIKey
DOELDWATIPWENT-ZHACJKMWSA-N
Compound name
6-chloro-4-hydroxy-7-methyl-3-[(E)-3-(3-phenoxyphenyl)prop-2-enoyl]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

432.07645 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.08373 201.8
[M+Na]+ 455.06567 211.9
[M-H]- 431.06917 212.4
[M+NH4]+ 450.11027 211.2
[M+K]+ 471.03961 206.1
[M+H-H2O]+ 415.07371 192.2
[M+HCOO]- 477.07465 216.6
[M+CH3COO]- 491.09030 211.9
[M+Na-2H]- 453.05112 203.7
[M]+ 432.07590 208.5
[M]- 432.07700 208.5
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.