CID 43134433

2,5-dichloro-4-methoxybenzenesulfonyl chloride

Structural Information

Molecular Formula
C7H5Cl3O3S
SMILES
COC1=CC(=C(C=C1Cl)S(=O)(=O)Cl)Cl
InChI
InChI=1S/C7H5Cl3O3S/c1-13-6-2-5(9)7(3-4(6)8)14(10,11)12/h2-3H,1H3
InChIKey
UXVBWWBVJVHLTI-UHFFFAOYSA-N
Compound name
2,5-dichloro-4-methoxybenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

273.9025 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.90978 155.5
[M+Na]+ 296.89172 169.6
[M+NH4]+ 291.93632 163.6
[M+K]+ 312.86566 160.9
[M-H]- 272.89522 156.0
[M+Na-2H]- 294.87717 160.7
[M]+ 273.90195 159.0
[M]- 273.90305 159.0
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

patents stripe