CID 63188418

4-[(dimethylamino)methyl]-2-fluoroaniline

Structural Information

Molecular Formula

C₉H₁₃FN₂

SMILES

CN(C)CC1=CC(=C(C=C1)N)F

InChI

InChI=1S/C9H13FN2/c1-12(2)6-7-3-4-9(11)8(10)5-7/h3-5H,6,11H2,1-2H3

InChIKey

VWVZWMONLJPEQH-UHFFFAOYSA-N

Compound name

4-[(dimethylamino)methyl]-2-fluoroaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 168.10628 Da
Monoisotopic Mass: 1.2
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]+	169.11356	135.1
[M+Na]+	191.09550	146.1
[M+NH4]+	186.14010	143.5
[M+K]+	207.06944	140.0
[M-H]-	167.09900	137.6
[M+Na-2H]-	189.08095	141.7
[M]+	168.10573	137.2
[M]-	168.10683	137.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe