CID 131677188

2208822-80-2

Structural Information

Molecular Formula

C₄H₇BrF₂N₂O

SMILES

C(CNC(=O)C(F)(F)Br)N

InChI

InChI=1S/C4H7BrF2N2O/c5-4(6,7)3(10)9-2-1-8/h1-2,8H2,(H,9,10)

InChIKey

XCPVQTDOFZFLBO-UHFFFAOYSA-N

Compound name

N-(2-aminoethyl)-2-bromo-2,2-difluoroacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 215.97098 Da
Monoisotopic Mass: 0.1
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]+	216.97826	138.1
[M+Na]+	238.96020	148.1
[M-H]-	214.96370	138.2
[M+NH4]+	234.00480	159.0
[M+K]+	254.93414	137.1
[M+H-H2O]+	198.96824	135.9
[M+HCOO]-	260.96918	157.0
[M+CH3COO]-	274.98483	187.4
[M+Na-2H]-	236.94565	144.2
[M]+	215.97043	151.2
[M]-	215.97153	151.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.