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]+ 203.097896 142.2
[M+Na]+ 225.079838 150.9
[M-H]- 201.083344 146.2
[M+NH4]+ 220.124443 159.6
[M+K]+ 241.053778 146.3
[M+H-H2O]+ 185.087880 133.5
[M+HCOO]- 247.088821 165.3
[M+CH3COO]- 261.104471 187.7
[M+Na-2H]- 223.065286 148.8
[M]+ 202.09007142 139.1
[M]- 202.09116858 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.