CID 16772789

[1-(2,6-difluorophenyl)ethyl](methyl)amine

Structural Information

Molecular Formula
C9H11F2N
SMILES
CC(C1=C(C=CC=C1F)F)NC
InChI
InChI=1S/C9H11F2N/c1-6(12-2)9-7(10)4-3-5-8(9)11/h3-6,12H,1-2H3
InChIKey
PUOOAZHFWYJUNB-UHFFFAOYSA-N
Compound name
1-(2,6-difluorophenyl)-N-methylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

171.08595 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.09323 132.9
[M+Na]+ 194.07517 141.2
[M-H]- 170.07867 134.4
[M+NH4]+ 189.11977 153.4
[M+K]+ 210.04911 138.9
[M+H-H2O]+ 154.08321 125.6
[M+HCOO]- 216.08415 155.4
[M+CH3COO]- 230.09980 184.8
[M+Na-2H]- 192.06062 137.6
[M]+ 171.08540 129.8
[M]- 171.08650 129.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe