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: 15
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]+	183.092816	137.2
[M+Na]+	205.074758	145.1
[M-H]-	181.078264	141.1
[M+NH4]+	200.119363	157.4
[M+K]+	221.048698	144.2
[M+H-H2O]+	165.082800	130.2
[M+HCOO]-	227.083741	162.1
[M+CH3COO]-	241.099391	190.2
[M+Na-2H]-	203.060206	140.9
[M]+	182.08499142	135.5
[M]-	182.08608858	135.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe