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

60
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

literature stripe

Patent stripe

patents stripe