CID 104781

70636-86-1

Structural Information

Molecular Formula
C8H15O3PS
SMILES
CC(C)(C)C12COP(=S)(OC1)OC2
InChI
InChI=1S/C8H15O3PS/c1-7(2,3)8-4-9-12(13,10-5-8)11-6-8/h4-6H2,1-3H3
InChIKey
VTBHBNXGFPTBJL-UHFFFAOYSA-N
Compound name
4-tert-butyl-1-sulfanylidene-2,6,7-trioxa-1lambda5-phosphabicyclo[2.2.2]octane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

473
References

1257
Patents

222.04796 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.05524 145.9
[M+Na]+ 245.03718 151.8
[M-H]- 221.04068 143.6
[M+NH4]+ 240.08178 169.6
[M+K]+ 261.01112 154.8
[M+H-H2O]+ 205.04522 140.3
[M+HCOO]- 267.04616 155.5
[M+CH3COO]- 281.06181 189.1
[M+Na-2H]- 243.02263 158.4
[M]+ 222.04741 153.3
[M]- 222.04851 153.3
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