CID 2736156

5,7-bis(trifluoromethyl)-4-hydroxyquinoline

Structural Information

Molecular Formula
C11H5F6NO
SMILES
C1=CNC2=CC(=CC(=C2C1=O)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C11H5F6NO/c12-10(13,14)5-3-6(11(15,16)17)9-7(4-5)18-2-1-8(9)19/h1-4H,(H,18,19)
InChIKey
VMUHDGVEVRDEMW-UHFFFAOYSA-N
Compound name
5,7-bis(trifluoromethyl)-1H-quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.02753 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.03481 154.3
[M+Na]+ 304.01675 166.2
[M-H]- 280.02025 149.4
[M+NH4]+ 299.06135 169.6
[M+K]+ 319.99069 160.0
[M+H-H2O]+ 264.02479 143.4
[M+HCOO]- 326.02573 165.8
[M+CH3COO]- 340.04138 195.9
[M+Na-2H]- 302.00220 159.7
[M]+ 281.02698 145.8
[M]- 281.02808 145.8
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.