CID 253131

Meso-2,3-diphenylsuccinic acid

Structural Information

Molecular Formula
C16H14O4
SMILES
C1=CC=C(C=C1)[C@H]([C@H](C2=CC=CC=C2)C(=O)O)C(=O)O
InChI
InChI=1S/C16H14O4/c17-15(18)13(11-7-3-1-4-8-11)14(16(19)20)12-9-5-2-6-10-12/h1-10,13-14H,(H,17,18)(H,19,20)/t13-,14+
InChIKey
PVXCQHHWNDJIJP-OKILXGFUSA-N
Compound name
(2S,3R)-2,3-diphenylbutanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

73
Patents

270.0892 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.09648 160.6
[M+Na]+ 293.07842 164.5
[M-H]- 269.08192 164.1
[M+NH4]+ 288.12302 174.3
[M+K]+ 309.05236 161.7
[M+H-H2O]+ 253.08646 153.3
[M+HCOO]- 315.08740 178.5
[M+CH3COO]- 329.10305 193.2
[M+Na-2H]- 291.06387 161.9
[M]+ 270.08865 158.5
[M]- 270.08975 158.5
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

No patent data available for this compound.