CID 207875

Brn 2182367

Structural Information

Molecular Formula
C14H23ClNO5PS2
SMILES
CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OP(=S)(OCC)OCC)Cl
InChI
InChI=1S/C14H23ClNO5PS2/c1-5-16(6-2)24(17,18)12-9-10-14(13(15)11-12)21-22(23,19-7-3)20-8-4/h9-11H,5-8H2,1-4H3
InChIKey
JNNAPYUDIZVOEV-UHFFFAOYSA-N
Compound name
3-chloro-4-diethoxyphosphinothioyloxy-N,N-diethylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.04437 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.05165 185.1
[M+Na]+ 438.03359 191.1
[M-H]- 414.03709 188.7
[M+NH4]+ 433.07819 198.0
[M+K]+ 454.00753 187.0
[M+H-H2O]+ 398.04163 176.4
[M+HCOO]- 460.04257 198.5
[M+CH3COO]- 474.05822 223.6
[M+Na-2H]- 436.01904 184.7
[M]+ 415.04382 197.0
[M]- 415.04492 197.0
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.