CID 71758462

4-chloro-3-nitro-7-(trifluoromethyl)quinoline

Structural Information

Molecular Formula
C10H4ClF3N2O2
SMILES
C1=CC2=C(C(=CN=C2C=C1C(F)(F)F)[N+](=O)[O-])Cl
InChI
InChI=1S/C10H4ClF3N2O2/c11-9-6-2-1-5(10(12,13)14)3-7(6)15-4-8(9)16(17)18/h1-4H
InChIKey
FBXDITKJZYEHCP-UHFFFAOYSA-N
Compound name
4-chloro-3-nitro-7-(trifluoromethyl)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.99133 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.99861 149.5
[M+Na]+ 298.98055 160.3
[M-H]- 274.98405 149.4
[M+NH4]+ 294.02515 165.8
[M+K]+ 314.95449 151.1
[M+H-H2O]+ 258.98859 146.0
[M+HCOO]- 320.98953 164.1
[M+CH3COO]- 335.00518 190.9
[M+Na-2H]- 296.96600 158.3
[M]+ 275.99078 147.4
[M]- 275.99188 147.4
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

No patent data available for this compound.