CID 39237454

3-amino-4-fluoro-n,n-dimethylbenzamide

Structural Information

Molecular Formula

C₉H₁₁FN₂O

SMILES

CN(C)C(=O)C1=CC(=C(C=C1)F)N

InChI

InChI=1S/C9H11FN2O/c1-12(2)9(13)6-3-4-7(10)8(11)5-6/h3-5H,11H2,1-2H3

InChIKey

LDHGMDMNTFZOAH-UHFFFAOYSA-N

Compound name

3-amino-4-fluoro-N,N-dimethylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 182.08554 Da
Monoisotopic Mass: 0.9
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]+	183.09282	138.0
[M+Na]+	205.07476	148.3
[M+NH4]+	200.11936	145.5
[M+K]+	221.04870	143.4
[M-H]-	181.07826	139.6
[M+Na-2H]-	203.06021	143.7
[M]+	182.08499	139.6
[M]-	182.08609	139.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe