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 139.3
[M+Na]+ 231.02152 144.8
[M-H]- 207.02502 136.9
[M+NH4]+ 226.06612 163.3
[M+K]+ 246.99546 148.0
[M+H-H2O]+ 191.02956 133.3
[M+HCOO]- 253.03050 149.6
[M+CH3COO]- 267.04615 150.6
[M+Na-2H]- 229.00697 150.0
[M]+ 208.03175 146.2
[M]- 208.03285 146.2
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.