CID 10678361

2-amino-6-fluorobenzene-1-thiol

Structural Information

Molecular Formula

SMILES

C1=CC(=C(C(=C1)F)S)N

InChI

InChI=1S/C6H6FNS/c7-4-2-1-3-5(8)6(4)9/h1-3,9H,8H2

InChIKey

YVJJLJAUJVHNCI-UHFFFAOYSA-N

Compound name

2-amino-6-fluorobenzenethiol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 143.0205 Da
Monoisotopic Mass: 1.5
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]+	144.02778	124.2
[M+Na]+	166.00972	136.3
[M+NH4]+	161.05432	133.7
[M+K]+	181.98366	128.1
[M-H]-	142.01322	126.5
[M+Na-2H]-	163.99517	130.8
[M]+	143.01995	127.0
[M]-	143.02105	127.0

Literature stripe

literature stripe

Patent stripe

patents stripe