CID 361250

Nsc624198

Structural Information

Molecular Formula
C14H30O4S6
SMILES
C(CCSSCCCCSSCCCCCS(=O)O)CCS(=O)O
InChI
InChI=1S/C14H30O4S6/c15-23(16)13-7-1-3-9-19-21-11-5-6-12-22-20-10-4-2-8-14-24(17)18/h1-14H2,(H,15,16)(H,17,18)
InChIKey
SGBOHIVIUMZHQQ-UHFFFAOYSA-N
Compound name
5-[4-(5-sulfinopentyldisulfanyl)butyldisulfanyl]pentane-1-sulfinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

454.04684 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.05412 203.5
[M+Na]+ 477.03606 202.1
[M-H]- 453.03956 192.8
[M+NH4]+ 472.08066 207.3
[M+K]+ 493.01000 185.5
[M+H-H2O]+ 437.04410 194.6
[M+HCOO]- 499.04504 185.9
[M+CH3COO]- 513.06069 223.0
[M+Na-2H]- 475.02151 201.2
[M]+ 454.04629 196.3
[M]- 454.04739 196.3
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.