CID 74891175

1451392-39-4

Structural Information

Molecular Formula

C₇H₈BFO₂S

SMILES

B(C1=CC(=C(C=C1)F)SC)(O)O

InChI

InChI=1S/C7H8BFO2S/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,10-11H,1H3

InChIKey

KCPJDAWNJZFHKI-UHFFFAOYSA-N

Compound name

(4-fluoro-3-methylsulfanylphenyl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 186.03221 Da
Monoisotopic Mass: None
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]+	187.03949	135.8
[M+Na]+	209.02143	146.7
[M+NH4]+	204.06603	143.7
[M+K]+	224.99537	139.9
[M-H]-	185.02493	135.7
[M+Na-2H]-	207.00688	140.3
[M]+	186.03166	137.6
[M]-	186.03276	137.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.