CID 112756558

2-chloro-5-(propan-2-yl)benzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C9H10Cl2O2S
SMILES
CC(C)C1=CC(=C(C=C1)Cl)S(=O)(=O)Cl
InChI
InChI=1S/C9H10Cl2O2S/c1-6(2)7-3-4-8(10)9(5-7)14(11,12)13/h3-6H,1-2H3
InChIKey
FODYZJCRHYWTTJ-UHFFFAOYSA-N
Compound name
2-chloro-5-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]+ 252.98514 145.5
[M+Na]+ 274.96708 156.1
[M-H]- 250.97058 149.9
[M+NH4]+ 270.01168 165.0
[M+K]+ 290.94102 150.9
[M+H-H2O]+ 234.97512 142.5
[M+HCOO]- 296.97606 153.5
[M+CH3COO]- 310.99171 189.5
[M+Na-2H]- 272.95253 147.7
[M]+ 251.97731 151.5
[M]- 251.97841 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

patents stripe