CID 493813

Di-2-thenoyl-l-tartaric acid

Structural Information

Molecular Formula
C14H10O8S2
SMILES
C1=CSC(=C1)C(=O)O[C@H]([C@H](C(=O)O)OC(=O)C2=CC=CS2)C(=O)O
InChI
InChI=1S/C14H10O8S2/c15-11(16)9(21-13(19)7-3-1-5-23-7)10(12(17)18)22-14(20)8-4-2-6-24-8/h1-6,9-10H,(H,15,16)(H,17,18)/t9-,10-/m1/s1
InChIKey
GZXUXDFBGBTQSV-NXEZZACHSA-N
Compound name
(2R,3R)-2,3-bis(thiophene-2-carbonyloxy)butanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

369.98172 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.98900 185.9
[M+Na]+ 392.97094 190.2
[M-H]- 368.97444 190.2
[M+NH4]+ 388.01554 199.4
[M+K]+ 408.94488 189.0
[M+H-H2O]+ 352.97898 180.6
[M+HCOO]- 414.97992 195.6
[M+CH3COO]- 428.99557 202.6
[M+Na-2H]- 390.95639 180.4
[M]+ 369.98117 192.5
[M]- 369.98227 192.5
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.