CID 201150

Brn 2169786

Structural Information

Molecular Formula
C10H15ClNO5PS2
SMILES
CN(C)S(=O)(=O)C1=CC(=C(C=C1)OP(=S)(OC)OC)Cl
InChI
InChI=1S/C10H15ClNO5PS2/c1-12(2)20(13,14)8-5-6-10(9(11)7-8)17-18(19,15-3)16-4/h5-7H,1-4H3
InChIKey
RLJKBTZBSRAYAP-UHFFFAOYSA-N
Compound name
3-chloro-4-dimethoxyphosphinothioyloxy-N,N-dimethylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.98178 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.98906 167.5
[M+Na]+ 381.97100 175.3
[M-H]- 357.97450 171.9
[M+NH4]+ 377.01560 182.7
[M+K]+ 397.94494 172.1
[M+H-H2O]+ 341.97904 159.6
[M+HCOO]- 403.97998 182.1
[M+CH3COO]- 417.99563 212.1
[M+Na-2H]- 379.95645 168.8
[M]+ 358.98123 178.1
[M]- 358.98233 178.1
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.