CID 83272033

2-chloro-4-(chloromethyl)benzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C7H5Cl3O2S
SMILES
C1=CC(=C(C=C1CCl)Cl)S(=O)(=O)Cl
InChI
InChI=1S/C7H5Cl3O2S/c8-4-5-1-2-7(6(9)3-5)13(10,11)12/h1-3H,4H2
InChIKey
YITMCIZMGIVKNO-UHFFFAOYSA-N
Compound name
2-chloro-4-(chloromethyl)benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

257.9076 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.91488 152.9
[M+Na]+ 280.89682 167.3
[M+NH4]+ 275.94142 161.6
[M+K]+ 296.87076 157.8
[M-H]- 256.90032 153.9
[M+Na-2H]- 278.88227 158.8
[M]+ 257.90705 156.6
[M]- 257.90815 156.6
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