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 160.4
[M+Na]+ 331.01174 167.7
[M-H]- 307.01524 163.0
[M+NH4]+ 326.05634 177.8
[M+K]+ 346.98568 161.8
[M+H-H2O]+ 291.01978 152.9
[M+HCOO]- 353.02072 172.3
[M+CH3COO]- 367.03637 202.8
[M+Na-2H]- 328.99719 157.3
[M]+ 308.02197 166.9
[M]- 308.02307 166.9
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

patents stripe