CID 2782236

Bromodifluoroacetamide

Structural Information

Molecular Formula

C₂H₂BrF₂NO

SMILES

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

InChI

InChI=1S/C2H2BrF2NO/c3-2(4,5)1(6)7/h(H2,6,7)

InChIKey

BIWAMAZWCUQBBR-UHFFFAOYSA-N

Compound name

2-bromo-2,2-difluoroacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 121
Patents: 172.92879 Da
Monoisotopic Mass: 0.7
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]+	173.93607	125.5
[M+Na]+	195.91801	137.2
[M-H]-	171.92151	126.1
[M+NH4]+	190.96261	148.4
[M+K]+	211.89195	127.1
[M+H-H2O]+	155.92605	124.7
[M+HCOO]-	217.92699	144.1
[M+CH3COO]-	231.94264	177.7
[M+Na-2H]-	193.90346	132.6
[M]+	172.92824	138.9
[M]-	172.92934	138.9

Literature stripe

literature stripe

Patent stripe

patents stripe