CID 6437850

Mofegiline

Structural Information

Molecular Formula

C₁₁H₁₃F₂N

SMILES

C1=CC(=CC=C1CC/C(=C\F)/CN)F

InChI

InChI=1S/C11H13F2N/c12-7-10(8-14)2-1-9-3-5-11(13)6-4-9/h3-7H,1-2,8,14H2/b10-7+

InChIKey

VXLBSYHAEKDUSU-JXMROGBWSA-N

Compound name

(2E)-2-(fluoromethylidene)-4-(4-fluorophenyl)butan-1-amine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 41
References: 1144
Patents: 197.10161 Da
Monoisotopic Mass: 2.3
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]+	198.108886	142.1
[M+Na]+	220.090828	149.0
[M-H]-	196.094334	142.4
[M+NH4]+	215.135433	161.0
[M+K]+	236.064768	145.1
[M+H-H2O]+	180.098870	134.3
[M+HCOO]-	242.099811	163.5
[M+CH3COO]-	256.115461	187.4
[M+Na-2H]-	218.076276	145.3
[M]+	197.10106142	137.6
[M]-	197.10215858	137.6

Literature stripe

literature stripe

Patent stripe

patents stripe