CID 60800203

3,5-dichloro-4-(2-methoxyethoxy)benzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C9H9Cl3O4S
SMILES
COCCOC1=C(C=C(C=C1Cl)S(=O)(=O)Cl)Cl
InChI
InChI=1S/C9H9Cl3O4S/c1-15-2-3-16-9-7(10)4-6(5-8(9)11)17(12,13)14/h4-5H,2-3H2,1H3
InChIKey
UULQBLQKMWWWQO-UHFFFAOYSA-N
Compound name
3,5-dichloro-4-(2-methoxyethoxy)benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.9287 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.93598 157.0
[M+Na]+ 340.91792 168.0
[M-H]- 316.92142 160.6
[M+NH4]+ 335.96252 174.0
[M+K]+ 356.89186 162.9
[M+H-H2O]+ 300.92596 154.6
[M+HCOO]- 362.92690 161.2
[M+CH3COO]- 376.94255 199.0
[M+Na-2H]- 338.90337 159.1
[M]+ 317.92815 166.5
[M]- 317.92925 166.5
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.