CID 207860

Brn 2157936

Structural Information

Molecular Formula
C10H16NO5PS2
SMILES
CN(C)S(=O)(=O)C1=CC=CC=C1OP(=S)(OC)OC
InChI
InChI=1S/C10H16NO5PS2/c1-11(2)19(12,13)10-8-6-5-7-9(10)16-17(18,14-3)15-4/h5-8H,1-4H3
InChIKey
DKLGJCMAVRUSRE-UHFFFAOYSA-N
Compound name
2-dimethoxyphosphinothioyloxy-N,N-dimethylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.02075 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.028026 165.2
[M+Na]+ 348.009968 171.6
[M-H]- 324.013474 168.7
[M+NH4]+ 343.054573 180.4
[M+K]+ 363.983908 169.8
[M+H-H2O]+ 308.018010 155.7
[M+HCOO]- 370.018951 184.1
[M+CH3COO]- 384.034601 207.3
[M+Na-2H]- 345.995416 166.8
[M]+ 325.02020142 173.5
[M]- 325.02129858 173.5
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.