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

15
Patents

202.09062 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.097896 141.3
[M+Na]+ 225.079838 149.0
[M-H]- 201.083344 145.4
[M+NH4]+ 220.124443 158.6
[M+K]+ 241.053778 144.8
[M+H-H2O]+ 185.087880 132.3
[M+HCOO]- 247.088821 165.1
[M+CH3COO]- 261.104471 187.3
[M+Na-2H]- 223.065286 149.8
[M]+ 202.09007142 138.8
[M]- 202.09116858 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