CID 17748206

916975-92-3

Structural Information

Molecular Formula
C11H8F3N3O2
SMILES
CC1=CN(C=N1)C2=CC(=CC(=C2)C(F)(F)F)[N+](=O)[O-]
InChI
InChI=1S/C11H8F3N3O2/c1-7-5-16(6-15-7)9-2-8(11(12,13)14)3-10(4-9)17(18)19/h2-6H,1H3
InChIKey
JMLCVCGQBRZYOZ-UHFFFAOYSA-N
Compound name
4-methyl-1-[3-nitro-5-(trifluoromethyl)phenyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

78
Patents

271.05685 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.06413 150.7
[M+Na]+ 294.04607 161.1
[M+NH4]+ 289.09067 155.4
[M+K]+ 310.02001 160.6
[M-H]- 270.04957 149.2
[M+Na-2H]- 292.03152 155.9
[M]+ 271.05630 151.3
[M]- 271.05740 151.3
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

patents stripe