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 134.3
[M+Na]+ 199.06420 143.2
[M-H]- 175.06770 135.9
[M+NH4]+ 194.10880 152.8
[M+K]+ 215.03814 138.9
[M+H-H2O]+ 159.07224 125.7
[M+HCOO]- 221.07318 155.7
[M+CH3COO]- 235.08883 147.2
[M+Na-2H]- 197.04965 140.2
[M]+ 176.07443 131.3
[M]- 176.07553 131.3
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.