CID 84654063

2253631-10-4

Structural Information

Molecular Formula

C₉H₁₁F₂N

SMILES

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

InChI

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

InChIKey

VVKVYLUSIQNHNM-UHFFFAOYSA-N

Compound name

3,3-difluoro-2-phenylpropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 171.08595 Da
Monoisotopic Mass: 1.9
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	134.8
[M+Na]+	194.075168	140.9
[M-H]-	170.078674	135.0
[M+NH4]+	189.119773	154.3
[M+K]+	210.049108	138.6
[M+H-H2O]+	154.083210	127.0
[M+HCOO]-	216.084151	155.6
[M+CH3COO]-	230.099801	182.7
[M+Na-2H]-	192.060616	138.5
[M]+	171.08540142	129.3
[M]-	171.08649858	129.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe