CID 207478

Xanthene-2-acetic acid, 9-oxo-

Structural Information

Molecular Formula
C15H10O4
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)CC(=O)O
InChI
InChI=1S/C15H10O4/c16-14(17)8-9-5-6-13-11(7-9)15(18)10-3-1-2-4-12(10)19-13/h1-7H,8H2,(H,16,17)
InChIKey
MVECANJXWFSQQF-UHFFFAOYSA-N
Compound name
2-(9-oxoxanthen-2-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

59
Patents

254.0579 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.06518 150.7
[M+Na]+ 277.04712 161.7
[M-H]- 253.05062 156.6
[M+NH4]+ 272.09172 168.0
[M+K]+ 293.02106 158.7
[M+H-H2O]+ 237.05516 143.9
[M+HCOO]- 299.05610 172.0
[M+CH3COO]- 313.07175 164.3
[M+Na-2H]- 275.03257 160.1
[M]+ 254.05735 155.3
[M]- 254.05845 155.3
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.