CID 2799410

Sodium 4-bromobenzenesulfinate

Structural Information

Molecular Formula

C₆H₅BrO₂S

SMILES

C1=CC(=CC=C1S(=O)O)Br

InChI

InChI=1S/C6H5BrO2S/c7-5-1-3-6(4-2-5)10(8)9/h1-4H,(H,8,9)

InChIKey

QBLQHDHWTVMHRH-UHFFFAOYSA-N

Compound name

4-bromobenzenesulfinic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 269
Patents: 219.91936 Da
Monoisotopic Mass: 1.8
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]+	220.92664	122.7
[M+Na]+	242.90858	125.9
[M+NH4]+	237.95318	128.1
[M+K]+	258.88252	125.7
[M-H]-	218.91208	123.1
[M+Na-2H]-	240.89403	126.8
[M]+	219.91881	122.4
[M]-	219.91991	122.4

Literature stripe

literature stripe

Patent stripe

patents stripe