CID 2736837

5,7-dichloro-4-hydroxy-2-(trifluoromethyl)quinoline

Structural Information

Molecular Formula
C10H4Cl2F3NO
SMILES
C1=C(C=C(C2=C1NC(=CC2=O)C(F)(F)F)Cl)Cl
InChI
InChI=1S/C10H4Cl2F3NO/c11-4-1-5(12)9-6(2-4)16-8(3-7(9)17)10(13,14)15/h1-3H,(H,16,17)
InChIKey
UPYWRJPYAKQWLV-UHFFFAOYSA-N
Compound name
5,7-dichloro-2-(trifluoromethyl)-1H-quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.9622 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.96948 148.5
[M+Na]+ 303.95142 162.2
[M-H]- 279.95492 147.0
[M+NH4]+ 298.99602 165.7
[M+K]+ 319.92536 154.3
[M+H-H2O]+ 263.95946 141.7
[M+HCOO]- 325.96040 155.9
[M+CH3COO]- 339.97605 194.0
[M+Na-2H]- 301.93687 154.0
[M]+ 280.96165 148.0
[M]- 280.96275 148.0
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.