CID 99297

4-fluoro-1h-imidazole

Structural Information

Molecular Formula
C3H3FN2
SMILES
C1=C(NC=N1)F
InChI
InChI=1S/C3H3FN2/c4-3-1-5-2-6-3/h1-2H,(H,5,6)
InChIKey
HWUPTWDARIVICI-UHFFFAOYSA-N
Compound name
5-fluoro-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

325
Patents

86.02802 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 87.035296 109.8
[M+Na]+ 109.01724 119.3
[M-H]- 85.020744 108.4
[M+NH4]+ 104.06184 131.9
[M+K]+ 124.99118 117.9
[M+H-H2O]+ 69.025280 102.8
[M+HCOO]- 131.02622 131.9
[M+CH3COO]- 145.04187 158.8
[M+Na-2H]- 107.00269 117.8
[M]+ 86.027471 106.2
[M]- 86.028569 106.2
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.