CID 130770100

(4-chlorobutyl)boronic acid

Structural Information

Molecular Formula

C₄H₁₀BClO₂

SMILES

B(CCCCCl)(O)O

InChI

InChI=1S/C4H10BClO2/c6-4-2-1-3-5(7)8/h7-8H,1-4H2

InChIKey

UELLUJHBUAIKGW-UHFFFAOYSA-N

Compound name

4-chlorobutylboronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 136.04623 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]+	137.05351	125.0
[M+Na]+	159.03545	132.4
[M-H]-	135.03895	122.5
[M+NH4]+	154.08005	146.4
[M+K]+	175.00939	129.8
[M+H-H2O]+	119.04349	122.1
[M+HCOO]-	181.04443	141.2
[M+CH3COO]-	195.06008	166.9
[M+Na-2H]-	157.02090	130.1
[M]+	136.04568	126.0
[M]-	136.04678	126.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.