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
3
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]+ 252.985136 147.6
[M+Na]+ 274.967078 157.7
[M-H]- 250.970584 151.5
[M+NH4]+ 270.011683 166.9
[M+K]+ 290.941018 151.9
[M+H-H2O]+ 234.975120 144.1
[M+HCOO]- 296.976061 156.6
[M+CH3COO]- 310.991711 187.5
[M+Na-2H]- 272.952526 151.3
[M]+ 251.97731142 153.7
[M]- 251.97840858 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.