CID 102614011

4-chloro-3-nitro-8-(trifluoromethoxy)quinoline

Structural Information

Molecular Formula
C10H4ClF3N2O3
SMILES
C1=CC2=C(C(=CN=C2C(=C1)OC(F)(F)F)[N+](=O)[O-])Cl
InChI
InChI=1S/C10H4ClF3N2O3/c11-8-5-2-1-3-7(19-10(12,13)14)9(5)15-4-6(8)16(17)18/h1-4H
InChIKey
CONOMYDYILYDKL-UHFFFAOYSA-N
Compound name
4-chloro-3-nitro-8-(trifluoromethoxy)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

291.98627 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.99355 152.5
[M+Na]+ 314.97549 163.0
[M-H]- 290.97899 152.4
[M+NH4]+ 310.02009 168.0
[M+K]+ 330.94943 154.5
[M+H-H2O]+ 274.98353 148.7
[M+HCOO]- 336.98447 167.2
[M+CH3COO]- 351.00012 192.9
[M+Na-2H]- 312.96094 161.5
[M]+ 291.98572 151.7
[M]- 291.98682 151.7
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