CID 6500524

3-fluoro-4-(pyrrolidin-1-yl)aniline

Structural Information

Molecular Formula

C₁₀H₁₃FN₂

SMILES

C1CCN(C1)C2=C(C=C(C=C2)N)F

InChI

InChI=1S/C10H13FN2/c11-9-7-8(12)3-4-10(9)13-5-1-2-6-13/h3-4,7H,1-2,5-6,12H2

InChIKey

NOTAKFXSHAJNDN-UHFFFAOYSA-N

Compound name

3-fluoro-4-pyrrolidin-1-ylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 36
Patents: 180.10628 Da
Monoisotopic Mass: 2.0
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]+	181.11356	139.2
[M+Na]+	203.09550	150.0
[M+NH4]+	198.14010	147.7
[M+K]+	219.06944	145.2
[M-H]-	179.09900	141.8
[M+Na-2H]-	201.08095	145.7
[M]+	180.10573	141.2
[M]-	180.10683	141.2

Literature stripe

literature stripe

Patent stripe

patents stripe