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]+ 326.02803 165.2
[M+Na]+ 348.00997 171.6
[M-H]- 324.01347 168.7
[M+NH4]+ 343.05457 180.4
[M+K]+ 363.98391 169.8
[M+H-H2O]+ 308.01801 155.7
[M+HCOO]- 370.01895 184.1
[M+CH3COO]- 384.03460 207.3
[M+Na-2H]- 345.99542 166.8
[M]+ 325.02020 173.5
[M]- 325.02130 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.