CID 82708090

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

Structural Information

Molecular Formula
C9H10BrClO2S
SMILES
CC(C)C1=C(C=CC(=C1)Br)S(=O)(=O)Cl
InChI
InChI=1S/C9H10BrClO2S/c1-6(2)8-5-7(10)3-4-9(8)14(11,12)13/h3-6H,1-2H3
InChIKey
BUFNQRMIXALFSY-UHFFFAOYSA-N
Compound name
4-bromo-2-propan-2-ylbenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

295.92734 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.93462 142.0
[M+Na]+ 318.91656 145.9
[M+NH4]+ 313.96116 147.0
[M+K]+ 334.89050 145.0
[M-H]- 294.92006 141.9
[M+Na-2H]- 316.90201 145.4
[M]+ 295.92679 142.1
[M]- 295.92789 142.1
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