CID 16217147

252265-33-1

Structural Information

Molecular Formula

C₄H₈BCl₂O₂

SMILES

[B-]([O+]1CCOCC1)(Cl)Cl

InChI

InChI=1S/C4H8BCl2O2/c6-5(7)9-3-1-8-2-4-9/h1-4H2

InChIKey

NGHUJHTVUTWQSC-UHFFFAOYSA-N

Compound name

None

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 168.99944 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]+	170.00672	131.6
[M+Na]+	191.98866	137.1
[M-H]-	167.99216	133.1
[M+NH4]+	187.03326	149.1
[M+K]+	207.96260	131.8
[M+H-H2O]+	151.99670	133.3
[M+HCOO]-	213.99764	139.9
[M+CH3COO]-	228.01329	164.3
[M+Na-2H]-	189.97411	139.1
[M]+	168.99889	128.3
[M]-	168.99999	128.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.