CID 645683

78675-95-3

Structural Information

Molecular Formula
C12H11FN2
SMILES
C1=CC(=CN=C1)CNC2=CC=C(C=C2)F
InChI
InChI=1S/C12H11FN2/c13-11-3-5-12(6-4-11)15-9-10-2-1-7-14-8-10/h1-8,15H,9H2
InChIKey
ACUPPIKXBQWISN-UHFFFAOYSA-N
Compound name
4-fluoro-N-(pyridin-3-ylmethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

12
Patents

202.09062 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.09790 141.3
[M+Na]+ 225.07984 149.0
[M-H]- 201.08334 145.4
[M+NH4]+ 220.12444 158.6
[M+K]+ 241.05378 144.8
[M+H-H2O]+ 185.08788 132.3
[M+HCOO]- 247.08882 165.1
[M+CH3COO]- 261.10447 187.3
[M+Na-2H]- 223.06529 149.8
[M]+ 202.09007 138.8
[M]- 202.09117 138.8
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