CID 67326

4-fluorobenzylamine

Structural Information

Molecular Formula

SMILES

C1=CC(=CC=C1CN)F

InChI

InChI=1S/C7H8FN/c8-7-3-1-6(5-9)2-4-7/h1-4H,5,9H2

InChIKey

IIFVWLUQBAIPMJ-UHFFFAOYSA-N

Compound name

(4-fluorophenyl)methanamine

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 20
References: 10472
Patents: 125.06408 Da
Monoisotopic Mass: 1.1
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]+	126.071356	121.2
[M+Na]+	148.053298	129.6
[M-H]-	124.056804	123.5
[M+NH4]+	143.097903	143.2
[M+K]+	164.027238	127.4
[M+H-H2O]+	108.061340	115.1
[M+HCOO]-	170.062281	145.8
[M+CH3COO]-	184.077931	173.2
[M+Na-2H]-	146.038746	128.6
[M]+	125.06353142	117.9
[M]-	125.06462858	117.9

Literature stripe

literature stripe

Patent stripe

patents stripe