CID 109104

Thiopyrophosphoric acid, tetraisopropyl ester

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]+ 379.092606 180.5
[M+Na]+ 401.074548 182.6
[M-H]- 377.078054 177.5
[M+NH4]+ 396.119153 205.6
[M+K]+ 417.048488 182.3
[M+H-H2O]+ 361.082590 169.4
[M+HCOO]- 423.083531 207.4
[M+CH3COO]- 437.099181 219.0
[M+Na-2H]- 399.059996 174.1
[M]+ 378.08478142 190.7
[M]- 378.08587858 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.