CID 206513

Bay 50519

Structural Information

Molecular Formula
C13H20Cl2NO2PS
SMILES
CCN(CC)CC1=C(C(=CC(=C1)Cl)Cl)OP(=S)(CC)O
InChI
InChI=1S/C13H20Cl2NO2PS/c1-4-16(5-2)9-10-7-11(14)8-12(15)13(10)18-19(17,20)6-3/h7-8H,4-6,9H2,1-3H3,(H,17,20)
InChIKey
BAAZDIIPNVKXTH-UHFFFAOYSA-N
Compound name
N-[[3,5-dichloro-2-[ethyl(hydroxy)phosphinothioyl]oxyphenyl]methyl]-N-ethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.03293 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.04021 173.4
[M+Na]+ 378.02215 181.5
[M-H]- 354.02565 176.2
[M+NH4]+ 373.06675 189.4
[M+K]+ 393.99609 175.8
[M+H-H2O]+ 338.03019 166.9
[M+HCOO]- 400.03113 186.4
[M+CH3COO]- 414.04678 214.6
[M+Na-2H]- 376.00760 170.6
[M]+ 355.03238 182.4
[M]- 355.03348 182.4
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.