CID 10684044

Propan-2-yl 2-bromobenzene-1-sulfonate

Structural Information

Molecular Formula

C₉H₁₁BrO₃S

SMILES

CC(C)OS(=O)(=O)C1=CC=CC=C1Br

InChI

InChI=1S/C9H11BrO3S/c1-7(2)13-14(11,12)9-6-4-3-5-8(9)10/h3-7H,1-2H3

InChIKey

AISPPKSSOLMHOC-UHFFFAOYSA-N

Compound name

propan-2-yl 2-bromobenzenesulfonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 277.96124 Da
Monoisotopic Mass: 2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	278.96852	138.3
[M+Na]+	300.95046	140.8
[M+NH4]+	295.99506	142.6
[M+K]+	316.92440	141.0
[M-H]-	276.95396	137.7
[M+Na-2H]-	298.93591	141.6
[M]+	277.96069	137.7
[M]-	277.96179	137.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe