CID 11820531

500131-50-0

Structural Information

Molecular Formula

C₁₂H₁₇F₂N

SMILES

CCN(CC)C(C1=CC=CC(=C1)C)(F)F

InChI

InChI=1S/C12H17F2N/c1-4-15(5-2)12(13,14)11-8-6-7-10(3)9-11/h6-9H,4-5H2,1-3H3

InChIKey

SGDDSVYULWVCQK-UHFFFAOYSA-N

Compound name

N-[difluoro-(3-methylphenyl)methyl]-N-ethylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 93
Patents: 213.1329 Da
Monoisotopic Mass: 3.6
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]+	214.14018	146.8
[M+Na]+	236.12212	153.7
[M-H]-	212.12562	149.1
[M+NH4]+	231.16672	166.1
[M+K]+	252.09606	152.0
[M+H-H2O]+	196.13016	138.9
[M+HCOO]-	258.13110	168.2
[M+CH3COO]-	272.14675	195.8
[M+Na-2H]-	234.10757	151.6
[M]+	213.13235	145.8
[M]-	213.13345	145.8

Literature stripe

literature stripe

Patent stripe

patents stripe