CID 130712931

2287283-91-2

Structural Information

Molecular Formula

C₆H₁₀BrF₂N

SMILES

C1CN(CC1(F)F)CCBr

InChI

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

InChIKey

VQAFYODPIVCSNP-UHFFFAOYSA-N

Compound name

1-(2-bromoethyl)-3,3-difluoropyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 212.99648 Da
Monoisotopic Mass: 1.8
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	138.1
[M+Na]+	235.98570	150.0
[M-H]-	211.98920	140.6
[M+NH4]+	231.03030	162.8
[M+K]+	251.95964	139.7
[M+H-H2O]+	195.99374	137.6
[M+HCOO]-	257.99468	156.0
[M+CH3COO]-	272.01033	182.6
[M+Na-2H]-	233.97115	143.8
[M]+	212.99593	152.5
[M]-	212.99703	152.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.