CID 71900

Nitrefazole

Structural Information

Molecular Formula
C10H8N4O4
SMILES
CC1=NC(=CN1C2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C10H8N4O4/c1-7-11-10(14(17)18)6-12(7)8-2-4-9(5-3-8)13(15)16/h2-6H,1H3
InChIKey
NMTBSNPBIGRZBL-UHFFFAOYSA-N
Compound name
2-methyl-4-nitro-1-(4-nitrophenyl)imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

27
References

235
Patents

248.05455 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.06183 152.8
[M+Na]+ 271.04377 159.8
[M-H]- 247.04727 158.0
[M+NH4]+ 266.08837 166.8
[M+K]+ 287.01771 149.4
[M+H-H2O]+ 231.05181 153.3
[M+HCOO]- 293.05275 177.7
[M+CH3COO]- 307.06840 182.8
[M+Na-2H]- 269.02922 161.6
[M]+ 248.05400 150.0
[M]- 248.05510 150.0
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