CID 2775263

175203-62-0

Structural Information

Molecular Formula
C12H9F3N2O3
SMILES
CC1=C(C2=C(C=C1)N=C(C=C2OC)C(F)(F)F)[N+](=O)[O-]
InChI
InChI=1S/C12H9F3N2O3/c1-6-3-4-7-10(11(6)17(18)19)8(20-2)5-9(16-7)12(13,14)15/h3-5H,1-2H3
InChIKey
JXZITCZYZVYHHV-UHFFFAOYSA-N
Compound name
4-methoxy-6-methyl-5-nitro-2-(trifluoromethyl)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

286.05652 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.063796 156.6
[M+Na]+ 309.045738 166.8
[M-H]- 285.049244 157.0
[M+NH4]+ 304.090343 171.9
[M+K]+ 325.019678 159.3
[M+H-H2O]+ 269.053780 152.0
[M+HCOO]- 331.054721 175.2
[M+CH3COO]- 345.070371 196.4
[M+Na-2H]- 307.031186 164.5
[M]+ 286.05597142 154.7
[M]- 286.05706858 154.7
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

No patent data available for this compound.