CID 83235408

2435608-28-7

Structural Information

Molecular Formula

C₁₀H₁₃F₂N

SMILES

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

InChI

InChI=1S/C10H13F2N/c1-7-3-4-9(8(2)5-7)10(11,12)6-13/h3-5H,6,13H2,1-2H3

InChIKey

OVFHGGNGSSPCOL-UHFFFAOYSA-N

Compound name

2-(2,4-dimethylphenyl)-2,2-difluoroethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 185.10161 Da
Monoisotopic Mass: 2.2
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]+	186.10889	137.9
[M+Na]+	208.09083	146.5
[M-H]-	184.09433	138.9
[M+NH4]+	203.13543	157.8
[M+K]+	224.06477	143.5
[M+H-H2O]+	168.09887	131.0
[M+HCOO]-	230.09981	158.8
[M+CH3COO]-	244.11546	186.6
[M+Na-2H]-	206.07628	142.8
[M]+	185.10106	134.3
[M]-	185.10216	134.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe