CID 3087476

Crl 41329

Structural Information

Molecular Formula

C₁₀H₁₁FN₂

SMILES

C1C(CN=CN1)C2=CC=CC=C2F

InChI

InChI=1S/C10H11FN2/c11-10-4-2-1-3-9(10)8-5-12-7-13-6-8/h1-4,7-8H,5-6H2,(H,12,13)

InChIKey

ZLBLOIBVMVPLAV-UHFFFAOYSA-N

Compound name

5-(2-fluorophenyl)-1,4,5,6-tetrahydropyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 178.09062 Da
Monoisotopic Mass: 1.1
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]+	179.09790	138.8
[M+Na]+	201.07984	152.0
[M+NH4]+	196.12444	147.1
[M+K]+	217.05378	144.6
[M-H]-	177.08334	140.9
[M+Na-2H]-	199.06529	147.1
[M]+	178.09007	141.2
[M]-	178.09117	141.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe