CID 47002338

N-(2-amino-4,5-difluorophenyl)acetamide

Structural Information

Molecular Formula

C₈H₈F₂N₂O

SMILES

CC(=O)NC1=CC(=C(C=C1N)F)F

InChI

InChI=1S/C8H8F2N2O/c1-4(13)12-8-3-6(10)5(9)2-7(8)11/h2-3H,11H2,1H3,(H,12,13)

InChIKey

MEWAQUOPHRJZRM-UHFFFAOYSA-N

Compound name

N-(2-amino-4,5-difluorophenyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 186.06047 Da
Monoisotopic Mass: 0.6
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]+	187.06775	137.1
[M+Na]+	209.04969	146.5
[M+NH4]+	204.09429	143.4
[M+K]+	225.02363	141.8
[M-H]-	185.05319	136.7
[M+Na-2H]-	207.03514	141.6
[M]+	186.05992	137.9
[M]-	186.06102	137.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe