CID 12256594

4-(3-chloropropyl)benzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C9H10Cl2O2S
SMILES
C1=CC(=CC=C1CCCCl)S(=O)(=O)Cl
InChI
InChI=1S/C9H10Cl2O2S/c10-7-1-2-8-3-5-9(6-4-8)14(11,12)13/h3-6H,1-2,7H2
InChIKey
YKDXVAJHIMABPJ-UHFFFAOYSA-N
Compound name
4-(3-chloropropyl)benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

251.97786 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.98514 152.6
[M+Na]+ 274.96708 166.2
[M+NH4]+ 270.01168 161.3
[M+K]+ 290.94102 156.7
[M-H]- 250.97058 153.9
[M+Na-2H]- 272.95253 158.7
[M]+ 251.97731 156.0
[M]- 251.97841 156.0
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