CID 3016534

50622-51-0

Structural Information

Molecular Formula

C₈H₁₁FN₂

SMILES

C1=CC(=CC=C1NCCN)F

InChI

InChI=1S/C8H11FN2/c9-7-1-3-8(4-2-7)11-6-5-10/h1-4,11H,5-6,10H2

InChIKey

CSGVXMPCKSSCSY-UHFFFAOYSA-N

Compound name

N'-(4-fluorophenyl)ethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 63
Patents: 154.09062 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]+	155.097896	129.6
[M+Na]+	177.079838	136.7
[M-H]-	153.083344	131.6
[M+NH4]+	172.124443	150.0
[M+K]+	193.053778	134.1
[M+H-H2O]+	137.087880	122.7
[M+HCOO]-	199.088821	154.9
[M+CH3COO]-	213.104471	181.2
[M+Na-2H]-	175.065286	136.6
[M]+	154.09007142	125.9
[M]-	154.09116858	125.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe