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
2
Annotation Hits

0
References

82
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 152.4
[M+Na]+ 294.04607 162.0
[M-H]- 270.04957 153.9
[M+NH4]+ 289.09067 167.3
[M+K]+ 310.02001 154.2
[M+H-H2O]+ 254.05411 146.9
[M+HCOO]- 316.05505 172.4
[M+CH3COO]- 330.07070 190.9
[M+Na-2H]- 292.03152 158.7
[M]+ 271.05630 148.1
[M]- 271.05740 148.1
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