CID 43667945

6-iodo-2-(trifluoromethyl)-1,4-dihydroquinolin-4-one

Structural Information

Molecular Formula
C10H5F3INO
SMILES
C1=CC2=C(C=C1I)C(=O)C=C(N2)C(F)(F)F
InChI
InChI=1S/C10H5F3INO/c11-10(12,13)9-4-8(16)6-3-5(14)1-2-7(6)15-9/h1-4H,(H,15,16)
InChIKey
MGVPAKBHXXRIEL-UHFFFAOYSA-N
Compound name
6-iodo-2-(trifluoromethyl)-1H-quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.9368 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.94408 146.8
[M+Na]+ 361.92602 151.0
[M-H]- 337.92952 138.8
[M+NH4]+ 356.97062 159.5
[M+K]+ 377.89996 151.8
[M+H-H2O]+ 321.93406 135.0
[M+HCOO]- 383.93500 158.8
[M+CH3COO]- 397.95065 195.4
[M+Na-2H]- 359.91147 142.1
[M]+ 338.93625 140.2
[M]- 338.93735 140.2
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.