CID 26570

14211-01-9

Structural Information

Molecular Formula
C13H19O4PS2
SMILES
CC(C)OC(=O)C(C1=CC=CC=C1)SP(=S)(OC)OC
InChI
InChI=1S/C13H19O4PS2/c1-10(2)17-13(14)12(11-8-6-5-7-9-11)20-18(19,15-3)16-4/h5-10,12H,1-4H3
InChIKey
KZTXOHMYUXADBN-UHFFFAOYSA-N
Compound name
propan-2-yl 2-dimethoxyphosphinothioylsulfanyl-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

334.04623 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.05351 171.2
[M+Na]+ 357.03545 175.4
[M-H]- 333.03895 172.7
[M+NH4]+ 352.08005 185.6
[M+K]+ 373.00939 172.9
[M+H-H2O]+ 317.04349 161.8
[M+HCOO]- 379.04443 185.9
[M+CH3COO]- 393.06008 206.8
[M+Na-2H]- 355.02090 167.5
[M]+ 334.04568 178.0
[M]- 334.04678 178.0
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

patents stripe