CID 40031

51486-56-7

Structural Information

Molecular Formula
C7H13O3PS
SMILES
CC(C)C12COP(=S)(OC1)OC2
InChI
InChI=1S/C7H13O3PS/c1-6(2)7-3-8-11(12,9-4-7)10-5-7/h6H,3-5H2,1-2H3
InChIKey
FVYOWJAKNCNKPR-UHFFFAOYSA-N
Compound name
4-propan-2-yl-1-sulfanylidene-2,6,7-trioxa-1lambda5-phosphabicyclo[2.2.2]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.0323 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.03958 142.9
[M+Na]+ 231.02152 151.9
[M+NH4]+ 226.06612 155.7
[M+K]+ 246.99546 142.1
[M-H]- 207.02502 144.0
[M+Na-2H]- 229.00697 141.8
[M]+ 208.03175 145.3
[M]- 208.03285 145.3
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

No patent data available for this compound.