CID 458245

Schembl809349

Structural Information

Molecular Formula
C16H10O6
SMILES
C1=CC=C(C(=C1)C(=O)C(=O)C2=CC=CC=C2C(=O)O)C(=O)O
InChI
InChI=1S/C16H10O6/c17-13(9-5-1-3-7-11(9)15(19)20)14(18)10-6-2-4-8-12(10)16(21)22/h1-8H,(H,19,20)(H,21,22)
InChIKey
YAZLZCOKXMMOPF-UHFFFAOYSA-N
Compound name
2-[2-(2-carboxyphenyl)-2-oxoacetyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

298.04773 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.05501 162.0
[M+Na]+ 321.03695 168.0
[M-H]- 297.04045 166.3
[M+NH4]+ 316.08155 174.7
[M+K]+ 337.01089 165.6
[M+H-H2O]+ 281.04499 154.8
[M+HCOO]- 343.04593 180.6
[M+CH3COO]- 357.06158 198.7
[M+Na-2H]- 319.02240 162.2
[M]+ 298.04718 162.2
[M]- 298.04828 162.2
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

patents stripe