CID 102614020

4-chloro-3-nitro-8-(2,2,2-trifluoroethoxy)quinoline

Structural Information

Molecular Formula
C11H6ClF3N2O3
SMILES
C1=CC2=C(C(=CN=C2C(=C1)OCC(F)(F)F)[N+](=O)[O-])Cl
InChI
InChI=1S/C11H6ClF3N2O3/c12-9-6-2-1-3-8(20-5-11(13,14)15)10(6)16-4-7(9)17(18)19/h1-4H,5H2
InChIKey
KLIGYWONQCZRGU-UHFFFAOYSA-N
Compound name
4-chloro-3-nitro-8-(2,2,2-trifluoroethoxy)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.0019 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.00918 150.3
[M+Na]+ 328.99112 162.0
[M+NH4]+ 324.03572 155.9
[M+K]+ 344.96506 159.2
[M-H]- 304.99462 148.6
[M+Na-2H]- 326.97657 155.1
[M]+ 306.00135 151.4
[M]- 306.00245 151.4
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.