CID 201925

Dl-1-(p-fluoro-1-phenethyl)imidazole-5-carboxylic acid methyl ester hydrochloride

Structural Information

Molecular Formula
C13H13FN2O2
SMILES
CC(C1=CC=C(C=C1)F)N2C=NC=C2C(=O)OC
InChI
InChI=1S/C13H13FN2O2/c1-9(10-3-5-11(14)6-4-10)16-8-15-7-12(16)13(17)18-2/h3-9H,1-2H3
InChIKey
GGWGCYVYFWXYJK-UHFFFAOYSA-N
Compound name
methyl 3-[1-(4-fluorophenyl)ethyl]imidazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.0961 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.10338 156.0
[M+Na]+ 271.08532 167.7
[M+NH4]+ 266.12992 162.3
[M+K]+ 287.05926 164.1
[M-H]- 247.08882 156.3
[M+Na-2H]- 269.07077 162.0
[M]+ 248.09555 157.5
[M]- 248.09665 157.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.