CID 120234

2-(4-fluorophenyl)-n-methylethanamine

Structural Information

Molecular Formula
C9H12FN
SMILES
CNCCC1=CC=C(C=C1)F
InChI
InChI=1S/C9H12FN/c1-11-7-6-8-2-4-9(10)5-3-8/h2-5,11H,6-7H2,1H3
InChIKey
NCBPDSPIVAMJIT-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-N-methylethanamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

200
Patents

153.09538 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.10266 131.4
[M+Na]+ 176.08460 143.5
[M+NH4]+ 171.12920 140.3
[M+K]+ 192.05854 136.1
[M-H]- 152.08810 133.6
[M+Na-2H]- 174.07005 138.9
[M]+ 153.09483 133.7
[M]- 153.09593 133.7
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