CID 109104

61614-71-9

Structural Information

Molecular Formula
C12H28O5P2S2
SMILES
CC(C)OP(=S)(OC(C)C)OP(=S)(OC(C)C)OC(C)C
InChI
InChI=1S/C12H28O5P2S2/c1-9(2)13-18(20,14-10(3)4)17-19(21,15-11(5)6)16-12(7)8/h9-12H,1-8H3
InChIKey
OLDHISGLOJNHIO-UHFFFAOYSA-N
Compound name
di(propan-2-yloxy)phosphinothioyloxy-di(propan-2-yloxy)-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.08533 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.09261 180.5
[M+Na]+ 401.07455 182.6
[M-H]- 377.07805 177.5
[M+NH4]+ 396.11915 205.6
[M+K]+ 417.04849 182.3
[M+H-H2O]+ 361.08259 169.4
[M+HCOO]- 423.08353 207.4
[M+CH3COO]- 437.09918 219.0
[M+Na-2H]- 399.06000 174.1
[M]+ 378.08478 190.7
[M]- 378.08588 190.7
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.