CID 50896648

Benzyl(2,2-difluoroethyl)amine

Structural Information

Molecular Formula

C₉H₁₁F₂N

SMILES

C1=CC=C(C=C1)CNCC(F)F

InChI

InChI=1S/C9H11F2N/c10-9(11)7-12-6-8-4-2-1-3-5-8/h1-5,9,12H,6-7H2

InChIKey

OUSJSLQIBWQADW-UHFFFAOYSA-N

Compound name

N-benzyl-2,2-difluoroethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 171.08595 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]+	172.09323	133.6
[M+Na]+	194.07517	139.9
[M-H]-	170.07867	134.3
[M+NH4]+	189.11977	153.5
[M+K]+	210.04911	137.6
[M+H-H2O]+	154.08321	125.8
[M+HCOO]-	216.08415	156.1
[M+CH3COO]-	230.09980	182.5
[M+Na-2H]-	192.06062	139.7
[M]+	171.08540	129.8
[M]-	171.08650	129.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe