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 156.7
[M+Na]+ 311.00817 169.4
[M-H]- 287.01167 162.9
[M+NH4]+ 306.05277 173.9
[M+K]+ 326.98211 165.0
[M+H-H2O]+ 271.01621 151.0
[M+HCOO]- 333.01715 173.5
[M+CH3COO]- 347.03280 170.4
[M+Na-2H]- 308.99362 165.0
[M]+ 288.01840 164.2
[M]- 288.01950 164.2
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.