CID 77436

Stauffer b-8760

Structural Information

Molecular Formula
C10H23ClO5P2S
SMILES
CC(C)OP(=S)(CCl)OP(=O)(OC(C)C)OC(C)C
InChI
InChI=1S/C10H23ClO5P2S/c1-8(2)13-17(19,7-11)16-18(12,14-9(3)4)15-10(5)6/h8-10H,7H2,1-6H3
InChIKey
BJVZHILYTYOYAW-UHFFFAOYSA-N
Compound name
[chloromethyl(propan-2-yloxy)phosphinothioyl] dipropan-2-yl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.043 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.05028 172.5
[M+Na]+ 375.03222 177.8
[M-H]- 351.03572 171.1
[M+NH4]+ 370.07682 192.6
[M+K]+ 391.00616 176.9
[M+H-H2O]+ 335.04026 164.0
[M+HCOO]- 397.04120 199.0
[M+CH3COO]- 411.05685 211.9
[M+Na-2H]- 373.01767 169.0
[M]+ 352.04245 184.9
[M]- 352.04355 184.9
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.