CID 62614360

[2-(3,5-difluorophenyl)ethyl](methyl)amine hydrochloride

Structural Information

Molecular Formula
C9H11F2N
SMILES
CNCCC1=CC(=CC(=C1)F)F
InChI
InChI=1S/C9H11F2N/c1-12-3-2-7-4-8(10)6-9(11)5-7/h4-6,12H,2-3H2,1H3
InChIKey
CVFIWKMPMGIYJM-UHFFFAOYSA-N
Compound name
2-(3,5-difluorophenyl)-N-methylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

171.08595 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.093226 132.4
[M+Na]+ 194.075168 140.9
[M-H]- 170.078674 133.8
[M+NH4]+ 189.119773 153.0
[M+K]+ 210.049108 138.2
[M+H-H2O]+ 154.083210 125.0
[M+HCOO]- 216.084151 155.9
[M+CH3COO]- 230.099801 183.9
[M+Na-2H]- 192.060616 138.4
[M]+ 171.08540142 130.0
[M]- 171.08649858 130.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.