CID 4993270

(3,5-dichlorophenyl)methanesulfonyl chloride

Structural Information

Molecular Formula
C7H5Cl3O2S
SMILES
C1=C(C=C(C=C1Cl)Cl)CS(=O)(=O)Cl
InChI
InChI=1S/C7H5Cl3O2S/c8-6-1-5(2-7(9)3-6)4-13(10,11)12/h1-3H,4H2
InChIKey
GZMJRPMBVICCFL-UHFFFAOYSA-N
Compound name
(3,5-dichlorophenyl)methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

90
Patents

257.9076 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.914876 144.1
[M+Na]+ 280.896818 155.5
[M-H]- 256.900324 147.6
[M+NH4]+ 275.941423 163.2
[M+K]+ 296.870758 149.6
[M+H-H2O]+ 240.904860 142.0
[M+HCOO]- 302.905801 148.3
[M+CH3COO]- 316.921451 188.3
[M+Na-2H]- 278.882266 147.2
[M]+ 257.90705142 149.6
[M]- 257.90814858 149.6
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

patents stripe