CID 207872

Brn 2177774

Structural Information

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

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.02038 182.9
[M+Na]+ 410.00232 191.1
[M+NH4]+ 405.04692 188.2
[M+K]+ 425.97626 184.1
[M-H]- 386.00582 182.0
[M+Na-2H]- 407.98777 185.4
[M]+ 387.01255 184.8
[M]- 387.01365 184.8
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.