CID 201104

Brn 2703455

Structural Information

Molecular Formula
C12H20NO3PS2
SMILES
CCP(=S)(CC)OC1=CC=C(C=C1)S(=O)(=O)N(C)C
InChI
InChI=1S/C12H20NO3PS2/c1-5-17(18,6-2)16-11-7-9-12(10-8-11)19(14,15)13(3)4/h7-10H,5-6H2,1-4H3
InChIKey
QSRCDJKIVXEKTI-UHFFFAOYSA-N
Compound name
4-diethylphosphinothioyloxy-N,N-dimethylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.06223 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.06951 167.8
[M+Na]+ 344.05145 174.0
[M-H]- 320.05495 171.1
[M+NH4]+ 339.09605 183.5
[M+K]+ 360.02539 170.6
[M+H-H2O]+ 304.05949 158.3
[M+HCOO]- 366.06043 185.5
[M+CH3COO]- 380.07608 209.0
[M+Na-2H]- 342.03690 167.6
[M]+ 321.06168 174.1
[M]- 321.06278 174.1
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.