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
3
Annotation Hits

0
References

4433
Patents

304.03903 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.046306 160.8
[M+Na]+ 327.028248 164.5
[M-H]- 303.031754 158.3
[M+NH4]+ 322.072853 176.0
[M+K]+ 343.002188 160.5
[M+H-H2O]+ 287.036290 151.8
[M+HCOO]- 349.037231 168.5
[M+CH3COO]- 363.052881 203.5
[M+Na-2H]- 325.013696 155.4
[M]+ 304.03848142 165.9
[M]- 304.03957858 165.9
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