CID 12916482

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

Structural Information

Molecular Formula
C9H11ClO2S
SMILES
CC(C)C1=CC=CC=C1S(=O)(=O)Cl
InChI
InChI=1S/C9H11ClO2S/c1-7(2)8-5-3-4-6-9(8)13(10,11)12/h3-7H,1-2H3
InChIKey
VHORYVBOBIUIDS-UHFFFAOYSA-N
Compound name
2-propan-2-ylbenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

119
Patents

218.01683 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.02411 141.1
[M+Na]+ 241.00605 150.7
[M-H]- 217.00955 145.6
[M+NH4]+ 236.05065 161.3
[M+K]+ 256.97999 146.7
[M+H-H2O]+ 201.01409 137.0
[M+HCOO]- 263.01503 154.1
[M+CH3COO]- 277.03068 183.7
[M+Na-2H]- 238.99150 144.5
[M]+ 218.01628 145.8
[M]- 218.01738 145.8
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