CID 42039

56916-72-4

Structural Information

Molecular Formula
C11H9Cl4NO3S
SMILES
CCOCCS(=O)(=O)C1=C(C(=C(C(=C1Cl)Cl)C#N)Cl)Cl
InChI
InChI=1S/C11H9Cl4NO3S/c1-2-19-3-4-20(17,18)11-9(14)7(12)6(5-16)8(13)10(11)15/h2-4H2,1H3
InChIKey
GBITXFDURSIVHU-UHFFFAOYSA-N
Compound name
2,3,5,6-tetrachloro-4-(2-ethoxyethylsulfonyl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

374.90573 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.91301 169.9
[M+Na]+ 397.89495 182.3
[M+NH4]+ 392.93955 173.7
[M+K]+ 413.86889 171.7
[M-H]- 373.89845 163.8
[M+Na-2H]- 395.88040 171.7
[M]+ 374.90518 170.6
[M]- 374.90628 170.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.