CID 21911714

1219827-87-8

Structural Information

Molecular Formula

C₉H₈ClF₂NO

SMILES

C1=CC(=C(C(=C1)F)CNC(=O)CCl)F

InChI

InChI=1S/C9H8ClF2NO/c10-4-9(14)13-5-6-7(11)2-1-3-8(6)12/h1-3H,4-5H2,(H,13,14)

InChIKey

IIJIGOITGCLHHQ-UHFFFAOYSA-N

Compound name

2-chloro-N-[(2,6-difluorophenyl)methyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 219.02625 Da
Monoisotopic Mass: 1.9
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]+	220.03353	140.6
[M+Na]+	242.01547	150.0
[M-H]-	218.01897	141.8
[M+NH4]+	237.06007	159.9
[M+K]+	257.98941	145.4
[M+H-H2O]+	202.02351	133.9
[M+HCOO]-	264.02445	159.0
[M+CH3COO]-	278.04010	189.0
[M+Na-2H]-	240.00092	144.8
[M]+	219.02570	140.3
[M]-	219.02680	140.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe