CID 84707893

1784993-39-0

Structural Information

Molecular Formula
C9H10Cl2O2S
SMILES
CC(C)C1=C(C=C(C=C1)Cl)S(=O)(=O)Cl
InChI
InChI=1S/C9H10Cl2O2S/c1-6(2)8-4-3-7(10)5-9(8)14(11,12)13/h3-6H,1-2H3
InChIKey
CXMLMJWQNGVYPQ-UHFFFAOYSA-N
Compound name
5-chloro-2-propan-2-ylbenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.97786 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.985136 145.5
[M+Na]+ 274.967078 156.1
[M-H]- 250.970584 149.9
[M+NH4]+ 270.011683 165.0
[M+K]+ 290.941018 150.9
[M+H-H2O]+ 234.975120 142.5
[M+HCOO]- 296.976061 153.5
[M+CH3COO]- 310.991711 189.5
[M+Na-2H]- 272.952526 147.7
[M]+ 251.97731142 151.5
[M]- 251.97840858 151.5
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.