CID 27745

1-chloro-4-((2-chloroethyl)sulphonyl)benzene

Structural Information

Molecular Formula
C8H8Cl2O2S
SMILES
C1=CC(=CC=C1S(=O)(=O)CCCl)Cl
InChI
InChI=1S/C8H8Cl2O2S/c9-5-6-13(11,12)8-3-1-7(10)2-4-8/h1-4H,5-6H2
InChIKey
KXQHTLXSDBXWNB-UHFFFAOYSA-N
Compound name
1-chloro-4-(2-chloroethylsulfonyl)benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

122
Patents

237.9622 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.96948 143.1
[M+Na]+ 260.95142 153.6
[M-H]- 236.95492 147.1
[M+NH4]+ 255.99602 162.9
[M+K]+ 276.92536 148.1
[M+H-H2O]+ 220.95946 139.8
[M+HCOO]- 282.96040 152.4
[M+CH3COO]- 296.97605 184.6
[M+Na-2H]- 258.93687 147.3
[M]+ 237.96165 148.8
[M]- 237.96275 148.8
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