CID 2771111

7271-09-2

Structural Information

Molecular Formula
C12H12FN3
SMILES
C1CNC(C2=C1NC=N2)C3=CC=C(C=C3)F
InChI
InChI=1S/C12H12FN3/c13-9-3-1-8(2-4-9)11-12-10(5-6-14-11)15-7-16-12/h1-4,7,11,14H,5-6H2,(H,15,16)
InChIKey
ORABCGATFDOVFL-UHFFFAOYSA-N
Compound name
4-(4-fluorophenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

217.10153 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.10881 147.2
[M+Na]+ 240.09075 155.2
[M-H]- 216.09425 146.6
[M+NH4]+ 235.13535 162.9
[M+K]+ 256.06469 148.7
[M+H-H2O]+ 200.09879 137.7
[M+HCOO]- 262.09973 161.9
[M+CH3COO]- 276.11538 157.6
[M+Na-2H]- 238.07620 151.5
[M]+ 217.10098 140.0
[M]- 217.10208 140.0
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

No patent data available for this compound.