CID 3040279

7-chloro-9-oxoxanthene-2-acetic acid

Structural Information

Molecular Formula
C15H9ClO4
SMILES
C1=CC2=C(C=C1CC(=O)O)C(=O)C3=C(O2)C=CC(=C3)Cl
InChI
InChI=1S/C15H9ClO4/c16-9-2-4-13-11(7-9)15(19)10-5-8(6-14(17)18)1-3-12(10)20-13/h1-5,7H,6H2,(H,17,18)
InChIKey
OOGGEKXXAQOQEW-UHFFFAOYSA-N
Compound name
2-(7-chloro-9-oxoxanthen-2-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.01895 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.02623 157.1
[M+Na]+ 311.00817 174.9
[M+NH4]+ 306.05277 166.0
[M+K]+ 326.98211 167.1
[M-H]- 287.01167 161.5
[M+Na-2H]- 308.99362 164.1
[M]+ 288.01840 161.4
[M]- 288.01950 161.4
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.