CID 135904833

4-(4-fluorophenyl)-5-nitro-1h-imidazole

Structural Information

Molecular Formula
C9H6FN3O2
SMILES
C1=CC(=CC=C1C2=C(NC=N2)[N+](=O)[O-])F
InChI
InChI=1S/C9H6FN3O2/c10-7-3-1-6(2-4-7)8-9(13(14)15)12-5-11-8/h1-5H,(H,11,12)
InChIKey
GIIYFQFCQCAPKL-UHFFFAOYSA-N
Compound name
4-(4-fluorophenyl)-5-nitro-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.0444 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.051676 138.2
[M+Na]+ 230.033618 146.8
[M-H]- 206.037124 140.6
[M+NH4]+ 225.078223 154.6
[M+K]+ 246.007558 138.9
[M+H-H2O]+ 190.041660 134.2
[M+HCOO]- 252.042601 161.0
[M+CH3COO]- 266.058251 175.9
[M+Na-2H]- 228.019066 145.6
[M]+ 207.04385142 133.9
[M]- 207.04494858 133.9
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.