CID 24830990

Sulfanegen

Structural Information

Molecular Formula
C6H8O6S2
SMILES
C1C(SCC(S1)(C(=O)O)O)(C(=O)O)O
InChI
InChI=1S/C6H8O6S2/c7-3(8)5(11)1-13-6(12,2-14-5)4(9)10/h11-12H,1-2H2,(H,7,8)(H,9,10)
InChIKey
GYZMXMSJOZUNEQ-UHFFFAOYSA-N
Compound name
2,5-dihydroxy-1,4-dithiane-2,5-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

5
References

66
Patents

239.97623 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.98351 144.6
[M+Na]+ 262.96545 149.1
[M-H]- 238.96895 141.2
[M+NH4]+ 258.01005 162.5
[M+K]+ 278.93939 146.1
[M+H-H2O]+ 222.97349 142.3
[M+HCOO]- 284.97443 147.9
[M+CH3COO]- 298.99008 175.8
[M+Na-2H]- 260.95090 146.8
[M]+ 239.97568 142.4
[M]- 239.97678 142.4
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