CID 99410

Triisobutylphosphine sulphide

Structural Information

Molecular Formula
C12H27PS
SMILES
CC(C)CP(=S)(CC(C)C)CC(C)C
InChI
InChI=1S/C12H27PS/c1-10(2)7-13(14,8-11(3)4)9-12(5)6/h10-12H,7-9H2,1-6H3
InChIKey
MXRLZCWBOJMFJG-UHFFFAOYSA-N
Compound name
tris(2-methylpropyl)-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

232
Patents

234.1571 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.16438 159.3
[M+Na]+ 257.14632 163.6
[M-H]- 233.14982 158.1
[M+NH4]+ 252.19092 178.6
[M+K]+ 273.12026 161.8
[M+H-H2O]+ 217.15436 151.9
[M+HCOO]- 279.15530 176.8
[M+CH3COO]- 293.17095 198.1
[M+Na-2H]- 255.13177 153.6
[M]+ 234.15655 163.5
[M]- 234.15765 163.5
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.