CID 385909

Nsc677371

Structural Information

Molecular Formula
C24H17ClO5
SMILES
C1=CC=C(C=C1)C2C(C(=O)C3=CC=CC(=C3O2)CC(=O)O)(C(=O)C4=CC=CC=C4)Cl
InChI
InChI=1S/C24H17ClO5/c25-24(21(28)15-8-3-1-4-9-15)22(29)18-13-7-12-17(14-19(26)27)20(18)30-23(24)16-10-5-2-6-11-16/h1-13,23H,14H2,(H,26,27)
InChIKey
FZHHXKOSWGNPIC-UHFFFAOYSA-N
Compound name
2-(3-benzoyl-3-chloro-4-oxo-2-phenyl-2H-chromen-8-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.07645 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.08373 196.9
[M+Na]+ 443.06567 204.5
[M-H]- 419.06917 206.6
[M+NH4]+ 438.11027 207.9
[M+K]+ 459.03961 199.8
[M+H-H2O]+ 403.07371 187.9
[M+HCOO]- 465.07465 208.4
[M+CH3COO]- 479.09030 206.2
[M+Na-2H]- 441.05112 199.1
[M]+ 420.07590 199.7
[M]- 420.07700 199.7
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.