CID 10868367

2-iodo-5-nitro-1h-imidazole

Structural Information

Molecular Formula
C3H2IN3O2
SMILES
C1=C(NC(=N1)I)[N+](=O)[O-]
InChI
InChI=1S/C3H2IN3O2/c4-3-5-1-2(6-3)7(8)9/h1H,(H,5,6)
InChIKey
JMMWLKHHYDGTLC-UHFFFAOYSA-N
Compound name
2-iodo-5-nitro-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

238.91917 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.92645 132.3
[M+Na]+ 261.90839 134.2
[M-H]- 237.91189 126.1
[M+NH4]+ 256.95299 147.0
[M+K]+ 277.88233 134.7
[M+H-H2O]+ 221.91643 126.8
[M+HCOO]- 283.91737 151.3
[M+CH3COO]- 297.93302 170.8
[M+Na-2H]- 259.89384 128.8
[M]+ 238.91862 126.6
[M]- 238.91972 126.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe