CID 90627

24838-84-4

Structural Information

Molecular Formula
C12H18ClOPS2
SMILES
CCP(=S)(OCC(C)C)SC1=CC=C(C=C1)Cl
InChI
InChI=1S/C12H18ClOPS2/c1-4-15(16,14-9-10(2)3)17-12-7-5-11(13)6-8-12/h5-8,10H,4,9H2,1-3H3
InChIKey
XBAXKOFIBNFGRF-UHFFFAOYSA-N
Compound name
(4-chlorophenyl)sulfanyl-ethyl-(2-methylpropoxy)-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

308.02252 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.02980 165.2
[M+Na]+ 331.01174 176.2
[M+NH4]+ 326.05634 173.8
[M+K]+ 346.98568 165.8
[M-H]- 307.01524 166.8
[M+Na-2H]- 328.99719 169.4
[M]+ 308.02197 168.5
[M]- 308.02307 168.5
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

patents stripe