CID 165940336

2694745-54-3

Structural Information

Molecular Formula

C₆H₁₀BrF₂N

SMILES

C1C(CC1(F)F)(CN)CBr

InChI

InChI=1S/C6H10BrF2N/c7-3-5(4-10)1-6(8,9)2-5/h1-4,10H2

InChIKey

OCWYDFNLGCHPFL-UHFFFAOYSA-N

Compound name

[1-(bromomethyl)-3,3-difluorocyclobutyl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 212.99648 Da
Monoisotopic Mass: 1.3
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]+	214.00376	132.4
[M+Na]+	235.98570	143.0
[M-H]-	211.98920	136.3
[M+NH4]+	231.03030	151.8
[M+K]+	251.95964	134.9
[M+H-H2O]+	195.99374	128.9
[M+HCOO]-	257.99468	150.6
[M+CH3COO]-	272.01033	188.7
[M+Na-2H]-	233.97115	139.9
[M]+	212.99593	154.1
[M]-	212.99703	154.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.