CID 58541110

1552282-03-7

Structural Information

Molecular Formula

C₉H₁₁F₂N

SMILES

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

InChI

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

InChIKey

MKCZZRQZQCQBDJ-UHFFFAOYSA-N

Compound name

[3-(1,1-difluoroethyl)phenyl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
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]+	172.09323	133.5
[M+Na]+	194.07517	141.6
[M-H]-	170.07867	134.3
[M+NH4]+	189.11977	153.7
[M+K]+	210.04911	138.8
[M+H-H2O]+	154.08321	126.6
[M+HCOO]-	216.08415	154.8
[M+CH3COO]-	230.09980	182.4
[M+Na-2H]-	192.06062	139.7
[M]+	171.08540	129.2
[M]-	171.08650	129.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe