CID 75969

Dibenzoyl-l-tartaric acid

Structural Information

Molecular Formula
C18H14O8
SMILES
C1=CC=C(C=C1)C(=O)O[C@H]([C@H](C(=O)O)OC(=O)C2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C18H14O8/c19-15(20)13(25-17(23)11-7-3-1-4-8-11)14(16(21)22)26-18(24)12-9-5-2-6-10-12/h1-10,13-14H,(H,19,20)(H,21,22)/t13-,14-/m1/s1
InChIKey
YONLFQNRGZXBBF-ZIAGYGMSSA-N
Compound name
(2R,3R)-2,3-dibenzoyloxybutanedioic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

34
References

22127
Patents

358.06888 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.07616 176.8
[M+Na]+ 381.05810 179.2
[M-H]- 357.06160 180.0
[M+NH4]+ 376.10270 186.1
[M+K]+ 397.03204 179.1
[M+H-H2O]+ 341.06614 168.6
[M+HCOO]- 403.06708 193.2
[M+CH3COO]- 417.08273 207.2
[M+Na-2H]- 379.04355 175.3
[M]+ 358.06833 178.3
[M]- 358.06943 178.3
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