CID 2736156

237076-72-1

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]+ 282.034806 154.3
[M+Na]+ 304.016748 166.2
[M-H]- 280.020254 149.4
[M+NH4]+ 299.061353 169.6
[M+K]+ 319.990688 160.0
[M+H-H2O]+ 264.024790 143.4
[M+HCOO]- 326.025731 165.8
[M+CH3COO]- 340.041381 195.9
[M+Na-2H]- 302.002196 159.7
[M]+ 281.02698142 145.8
[M]- 281.02807858 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.