CID 6367267

O,o'-bis(2-methylpentyl)phosphorodithioic acid

Structural Information

Molecular Formula
C6H14OPS2
SMILES
CCC[C@H](C)CO[P+](=S)S
InChI
InChI=1S/C6H13OPS2/c1-3-4-6(2)5-7-8(9)10/h6H,3-5H2,1-2H3/p+1/t6-/m0/s1
InChIKey
KDPXTFMLAQKONM-LURJTMIESA-O
Compound name
[(2S)-2-methylpentoxy]-sulfanyl-sulfanylidenephosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.02237 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.02965 132.7
[M+Na]+ 220.01159 142.9
[M+NH4]+ 215.05619 142.1
[M+K]+ 235.98553 135.5
[M-H]- 196.01509 133.9
[M+Na-2H]- 217.99704 135.3
[M]+ 197.02182 135.5
[M]- 197.02292 135.5
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.