CID 99233

P-chlorobenzyl 2-chloroethyl sulfone

Structural Information

Molecular Formula
C9H10Cl2O2S
SMILES
C1=CC(=CC=C1CS(=O)(=O)CCCl)Cl
InChI
InChI=1S/C9H10Cl2O2S/c10-5-6-14(12,13)7-8-1-3-9(11)4-2-8/h1-4H,5-7H2
InChIKey
VYKADJACAOZSEZ-UHFFFAOYSA-N
Compound name
1-chloro-4-(2-chloroethylsulfonylmethyl)benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

251.97786 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.98514 147.6
[M+Na]+ 274.96708 157.7
[M-H]- 250.97058 151.5
[M+NH4]+ 270.01168 166.9
[M+K]+ 290.94102 151.9
[M+H-H2O]+ 234.97512 144.1
[M+HCOO]- 296.97606 156.6
[M+CH3COO]- 310.99171 187.5
[M+Na-2H]- 272.95253 151.3
[M]+ 251.97731 153.7
[M]- 251.97841 153.7
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.