CID 3067528

81718-71-0

Structural Information

Molecular Formula

C₁₂H₁₂FNO₂

SMILES

CC1=C(OC2=C1C=C(C=C2)F)C(=O)N(C)C

InChI

InChI=1S/C12H12FNO2/c1-7-9-6-8(13)4-5-10(9)16-11(7)12(15)14(2)3/h4-6H,1-3H3

InChIKey

KCYBWLIJDOQDIP-UHFFFAOYSA-N

Compound name

5-fluoro-N,N,3-trimethyl-1-benzofuran-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 221.0852 Da
Monoisotopic Mass: 2.6
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]+	222.09248	145.5
[M+Na]+	244.07442	156.2
[M-H]-	220.07792	152.1
[M+NH4]+	239.11902	166.6
[M+K]+	260.04836	155.5
[M+H-H2O]+	204.08246	139.1
[M+HCOO]-	266.08340	170.4
[M+CH3COO]-	280.09905	195.4
[M+Na-2H]-	242.05987	150.4
[M]+	221.08465	150.2
[M]-	221.08575	150.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe