CID 594465

(2,6-dichlorophenyl)methanesulfonyl chloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

106
Patents

257.9076 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.91488 144.1
[M+Na]+ 280.89682 155.5
[M-H]- 256.90032 147.6
[M+NH4]+ 275.94142 163.2
[M+K]+ 296.87076 149.6
[M+H-H2O]+ 240.90486 142.0
[M+HCOO]- 302.90580 148.3
[M+CH3COO]- 316.92145 188.3
[M+Na-2H]- 278.88227 147.2
[M]+ 257.90705 149.6
[M]- 257.90815 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