CID 55254065

4-[(2,5-difluorophenyl)methyl]-1h-imidazole hydrochloride

Structural Information

Molecular Formula
C10H8F2N2
SMILES
C1=CC(=C(C=C1F)CC2=CN=CN2)F
InChI
InChI=1S/C10H8F2N2/c11-8-1-2-10(12)7(3-8)4-9-5-13-6-14-9/h1-3,5-6H,4H2,(H,13,14)
InChIKey
SXIOGRFLQKRMTJ-UHFFFAOYSA-N
Compound name
5-[(2,5-difluorophenyl)methyl]-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.06555 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.07283 136.7
[M+Na]+ 217.05477 146.6
[M-H]- 193.05827 137.4
[M+NH4]+ 212.09937 154.7
[M+K]+ 233.02871 141.8
[M+H-H2O]+ 177.06281 127.4
[M+HCOO]- 239.06375 157.0
[M+CH3COO]- 253.07940 149.4
[M+Na-2H]- 215.04022 141.3
[M]+ 194.06500 133.0
[M]- 194.06610 133.0
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.