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]+ 287.06380 156.6
[M+Na]+ 309.04574 166.8
[M-H]- 285.04924 157.0
[M+NH4]+ 304.09034 171.9
[M+K]+ 325.01968 159.3
[M+H-H2O]+ 269.05378 152.0
[M+HCOO]- 331.05472 175.2
[M+CH3COO]- 345.07037 196.4
[M+Na-2H]- 307.03119 164.5
[M]+ 286.05597 154.7
[M]- 286.05707 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.