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]+ 218.108806 147.2
[M+Na]+ 240.090748 155.2
[M-H]- 216.094254 146.6
[M+NH4]+ 235.135353 162.9
[M+K]+ 256.064688 148.7
[M+H-H2O]+ 200.098790 137.7
[M+HCOO]- 262.099731 161.9
[M+CH3COO]- 276.115381 157.6
[M+Na-2H]- 238.076196 151.5
[M]+ 217.10098142 140.0
[M]- 217.10207858 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.