CID 72218216

1393540-47-0

Structural Information

Molecular Formula

C₉H₁₁F₂N

SMILES

CC1=CC(=CC=C1)C(CN)(F)F

InChI

InChI=1S/C9H11F2N/c1-7-3-2-4-8(5-7)9(10,11)6-12/h2-5H,6,12H2,1H3

InChIKey

YYURSPJUHQVNCR-UHFFFAOYSA-N

Compound name

2,2-difluoro-2-(3-methylphenyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 171.08595 Da
Monoisotopic Mass: 1.8
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]+	172.093226	133.5
[M+Na]+	194.075168	141.6
[M-H]-	170.078674	134.3
[M+NH4]+	189.119773	153.7
[M+K]+	210.049108	138.8
[M+H-H2O]+	154.083210	126.6
[M+HCOO]-	216.084151	154.8
[M+CH3COO]-	230.099801	182.4
[M+Na-2H]-	192.060616	139.7
[M]+	171.08540142	129.2
[M]-	171.08649858	129.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe