CID 76328

2984-66-9

Structural Information

Molecular Formula
C13H21OPS2
SMILES
CCP(=S)(OC)SC1=CC=C(C=C1)C(C)(C)C
InChI
InChI=1S/C13H21OPS2/c1-6-15(16,14-5)17-12-9-7-11(8-10-12)13(2,3)4/h7-10H,6H2,1-5H3
InChIKey
VHRBNSDFBAIBIO-UHFFFAOYSA-N
Compound name
(4-tert-butylphenyl)sulfanyl-ethyl-methoxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.07715 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.08443 163.0
[M+Na]+ 311.06637 169.9
[M-H]- 287.06987 165.2
[M+NH4]+ 306.11097 180.4
[M+K]+ 327.04031 165.3
[M+H-H2O]+ 271.07441 154.4
[M+HCOO]- 333.07535 178.5
[M+CH3COO]- 347.09100 201.1
[M+Na-2H]- 309.05182 161.4
[M]+ 288.07660 167.9
[M]- 288.07770 167.9
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.