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 142.9
[M+Na]+ 318.91656 157.1
[M-H]- 294.92006 150.4
[M+NH4]+ 313.96116 164.1
[M+K]+ 334.89050 143.8
[M+H-H2O]+ 278.92460 144.9
[M+HCOO]- 340.92554 154.2
[M+CH3COO]- 354.94119 194.5
[M+Na-2H]- 316.90201 147.9
[M]+ 295.92679 166.4
[M]- 295.92789 166.4
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