CID 92908

Sodium stibocaptate

Structural Information

Molecular Formula
C12H12O12S6Sb2
SMILES
C1(C(S[Sb](S1)SC(C(C(=O)O)S[Sb]2SC(C(S2)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O
InChI
InChI=1S/3C4H6O4S2.2Sb/c3*5-3(6)1(9)2(10)4(7)8;;/h3*1-2,9-10H,(H,5,6)(H,7,8);;/q;;;2*+3/p-6
InChIKey
WRIDGMJGKDWAJY-UHFFFAOYSA-H
Compound name
2-[1,2-dicarboxy-2-[(4,5-dicarboxy-1,3,2-dithiastibolan-2-yl)sulfanyl]ethyl]sulfanyl-1,3,2-dithiastibolane-4,5-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

46
References

204
Patents

781.6729 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 782.68018 219.5
[M+Na]+ 804.66212 213.1
[M+NH4]+ 799.70672 218.1
[M+K]+ 820.63606 212.2
[M-H]- 780.66562 212.4
[M+Na-2H]- 802.64757 211.6
[M]+ 781.67235 217.4
[M]- 781.67345 217.4
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