CID 81447446

1510479-35-2

Structural Information

Molecular Formula

C₁₂H₁₁FN₂

SMILES

C1=CC=NC(=C1)C2=C(C=C(C=C2)CN)F

InChI

InChI=1S/C12H11FN2/c13-11-7-9(8-14)4-5-10(11)12-3-1-2-6-15-12/h1-7H,8,14H2

InChIKey

UAROTLXCZIQKBS-UHFFFAOYSA-N

Compound name

(3-fluoro-4-pyridin-2-ylphenyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 202.09062 Da
Monoisotopic Mass: 1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe