CID 46315629

1214371-43-3

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.09062 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.09790 142.2
[M+Na]+ 225.07984 150.9
[M-H]- 201.08334 146.2
[M+NH4]+ 220.12444 159.6
[M+K]+ 241.05378 146.3
[M+H-H2O]+ 185.08788 133.5
[M+HCOO]- 247.08882 165.3
[M+CH3COO]- 261.10447 187.7
[M+Na-2H]- 223.06529 148.8
[M]+ 202.09007 139.1
[M]- 202.09117 139.1
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.