CID 161881

35614-21-2

Structural Information

Molecular Formula
C15H10O4
SMILES
C1=CC=C2C(=C1)C(=O)C3=CC=CC(=C3O2)CC(=O)O
InChI
InChI=1S/C15H10O4/c16-13(17)8-9-4-3-6-11-14(18)10-5-1-2-7-12(10)19-15(9)11/h1-7H,8H2,(H,16,17)
InChIKey
ABGYSGBNWQSGJD-UHFFFAOYSA-N
Compound name
2-(9-oxoxanthen-4-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

28
References

200
Patents

254.0579 Da
Monoisotopic Mass

2.4
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