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

63
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

literature stripe

Patent stripe

patents stripe