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

1
Patents

176.07498 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.082256 134.3
[M+Na]+ 199.064198 143.2
[M-H]- 175.067704 135.9
[M+NH4]+ 194.108803 152.8
[M+K]+ 215.038138 138.9
[M+H-H2O]+ 159.072240 125.7
[M+HCOO]- 221.073181 155.7
[M+CH3COO]- 235.088831 147.2
[M+Na-2H]- 197.049646 140.2
[M]+ 176.07443142 131.3
[M]- 176.07552858 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

patents stripe