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]+ 208.05168 138.2
[M+Na]+ 230.03362 146.8
[M-H]- 206.03712 140.6
[M+NH4]+ 225.07822 154.6
[M+K]+ 246.00756 138.9
[M+H-H2O]+ 190.04166 134.2
[M+HCOO]- 252.04260 161.0
[M+CH3COO]- 266.05825 175.9
[M+Na-2H]- 228.01907 145.6
[M]+ 207.04385 133.9
[M]- 207.04495 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.