CID 11522523

Benzophenone-2,4,5-tricarboxylic acid

Structural Information

Molecular Formula
C16H10O7
SMILES
C1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2C(=O)O)C(=O)O)C(=O)O
InChI
InChI=1S/C16H10O7/c17-13(8-4-2-1-3-5-8)9-6-11(15(20)21)12(16(22)23)7-10(9)14(18)19/h1-7H,(H,18,19)(H,20,21)(H,22,23)
InChIKey
OGQPSIOWWYARAZ-UHFFFAOYSA-N
Compound name
5-benzoylbenzene-1,2,4-tricarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

101
Patents

314.04266 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.04994 164.3
[M+Na]+ 337.03188 170.5
[M-H]- 313.03538 167.5
[M+NH4]+ 332.07648 175.8
[M+K]+ 353.00582 168.3
[M+H-H2O]+ 297.03992 157.3
[M+HCOO]- 359.04086 181.6
[M+CH3COO]- 373.05651 200.2
[M+Na-2H]- 335.01733 163.5
[M]+ 314.04211 164.6
[M]- 314.04321 164.6
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