CID 207871

Brn 2175364

Structural Information

Molecular Formula
C12H19ClNO5PS2
SMILES
CCOP(=S)(OCC)OC1=C(C=C(C=C1)S(=O)(=O)N(C)C)Cl
InChI
InChI=1S/C12H19ClNO5PS2/c1-5-17-20(21,18-6-2)19-12-8-7-10(9-11(12)13)22(15,16)14(3)4/h7-9H,5-6H2,1-4H3
InChIKey
WLHJCYSNJSCHDZ-UHFFFAOYSA-N
Compound name
3-chloro-4-diethoxyphosphinothioyloxy-N,N-dimethylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.0131 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.02038 176.4
[M+Na]+ 410.00232 183.2
[M-H]- 386.00582 180.4
[M+NH4]+ 405.04692 190.4
[M+K]+ 425.97626 179.6
[M+H-H2O]+ 370.01036 168.0
[M+HCOO]- 432.01130 190.3
[M+CH3COO]- 446.02695 217.8
[M+Na-2H]- 407.98777 176.8
[M]+ 387.01255 187.6
[M]- 387.01365 187.6
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.