CID 3057499

74039-77-3

Structural Information

Molecular Formula
C15H25PS2
SMILES
CCCCP(=S)(C1=CC=CC=C1C)SCCCC
InChI
InChI=1S/C15H25PS2/c1-4-6-12-16(17,18-13-7-5-2)15-11-9-8-10-14(15)3/h8-11H,4-7,12-13H2,1-3H3
InChIKey
NLNUBMIHARNEOA-UHFFFAOYSA-N
Compound name
butyl-butylsulfanyl-(2-methylphenyl)-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.11353 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.12081 166.1
[M+Na]+ 323.10275 172.1
[M-H]- 299.10625 167.8
[M+NH4]+ 318.14735 183.0
[M+K]+ 339.07669 166.1
[M+H-H2O]+ 283.11079 156.9
[M+HCOO]- 345.11173 182.2
[M+CH3COO]- 359.12738 205.4
[M+Na-2H]- 321.08820 162.3
[M]+ 300.11298 171.1
[M]- 300.11408 171.1
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.