CID 22083

Ipsp

Structural Information

Molecular Formula
C9H21O3PS3
SMILES
CCS(=O)CSP(=S)(OC(C)C)OC(C)C
InChI
InChI=1S/C9H21O3PS3/c1-6-16(10)7-15-13(14,11-8(2)3)12-9(4)5/h8-9H,6-7H2,1-5H3
InChIKey
KOTOUBGHZHWCCJ-UHFFFAOYSA-N
Compound name
ethylsulfinylmethylsulfanyl-di(propan-2-yloxy)-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4729
Patents

304.03903 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.04631 161.9
[M+Na]+ 327.02825 166.7
[M+NH4]+ 322.07285 167.8
[M+K]+ 343.00219 159.4
[M-H]- 303.03175 159.2
[M+Na-2H]- 325.01370 160.3
[M]+ 304.03848 162.8
[M]- 304.03958 162.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe