CID 146155929

2416233-72-0

Structural Information

Molecular Formula

SMILES

C(=NC(=O)Br)(F)F

InChI

InChI=1S/C2BrF2NO/c3-1(7)6-2(4)5

InChIKey

KFYQJXDJXUPMOE-UHFFFAOYSA-N

Compound name

N-(difluoromethylidene)carbamoyl bromide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 170.91313 Da
Monoisotopic Mass: 2.0
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]+	171.92041	122.1
[M+Na]+	193.90235	134.1
[M-H]-	169.90585	124.6
[M+NH4]+	188.94695	146.1
[M+K]+	209.87629	124.9
[M+H-H2O]+	153.91039	120.9
[M+HCOO]-	215.91133	143.7
[M+CH3COO]-	229.92698	179.3
[M+Na-2H]-	191.88780	129.3
[M]+	170.91258	137.5
[M]-	170.91368	137.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.