CID 55253570

4-[(3-fluorophenyl)methyl]-1h-imidazole hydrochloride

Structural Information

Molecular Formula
C10H9FN2
SMILES
C1=CC(=CC(=C1)F)CC2=CN=CN2
InChI
InChI=1S/C10H9FN2/c11-9-3-1-2-8(4-9)5-10-6-12-7-13-10/h1-4,6-7H,5H2,(H,12,13)
InChIKey
MNOXXWWDTDEEAE-UHFFFAOYSA-N
Compound name
5-[(3-fluorophenyl)methyl]-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.07498 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.08226 137.0
[M+Na]+ 199.06420 150.1
[M+NH4]+ 194.10880 145.1
[M+K]+ 215.03814 144.6
[M-H]- 175.06770 138.5
[M+Na-2H]- 197.04965 145.3
[M]+ 176.07443 139.2
[M]- 176.07553 139.2
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.