CID 17833009

935447-39-5

Structural Information

Molecular Formula

SMILES

C1=CC(=CC(=C1)S(=O)O)F

InChI

InChI=1S/C6H5FO2S/c7-5-2-1-3-6(4-5)10(8)9/h1-4H,(H,8,9)

InChIKey

SEFXPGUSSHQBKV-UHFFFAOYSA-N

Compound name

3-fluorobenzenesulfinic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 71
Patents: 159.99944 Da
Monoisotopic Mass: 1.2
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]+	161.00672	125.1
[M+Na]+	182.98866	134.4
[M-H]-	158.99216	126.9
[M+NH4]+	178.03326	145.9
[M+K]+	198.96260	131.7
[M+H-H2O]+	142.99670	119.3
[M+HCOO]-	204.99764	142.4
[M+CH3COO]-	219.01329	171.4
[M+Na-2H]-	180.97411	128.7
[M]+	159.99889	125.1
[M]-	159.99999	125.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe