CID 70463

999-34-8

Structural Information

Molecular Formula
C7H17PS2
SMILES
CCCSP(C)SCCC
InChI
InChI=1S/C7H17PS2/c1-4-6-9-8(3)10-7-5-2/h4-7H2,1-3H3
InChIKey
HKDYILGABRVNTF-UHFFFAOYSA-N
Compound name
methyl-bis(propylsulfanyl)phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.05093 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.05821 138.1
[M+Na]+ 219.04015 144.0
[M-H]- 195.04365 137.0
[M+NH4]+ 214.08475 158.8
[M+K]+ 235.01409 141.3
[M+H-H2O]+ 179.04819 130.1
[M+HCOO]- 241.04913 154.8
[M+CH3COO]- 255.06478 187.0
[M+Na-2H]- 217.02560 134.0
[M]+ 196.05038 143.0
[M]- 196.05148 143.0
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.