CID 16751

Flucarbril

Structural Information

Molecular Formula
C11H8F3NO
SMILES
CN1C2=C(C=CC1=O)C=C(C=C2)C(F)(F)F
InChI
InChI=1S/C11H8F3NO/c1-15-9-4-3-8(11(12,13)14)6-7(9)2-5-10(15)16/h2-6H,1H3
InChIKey
BSFJLMNFTBGXQE-UHFFFAOYSA-N
Compound name
1-methyl-6-(trifluoromethyl)quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

227.0558 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.06308 143.6
[M+Na]+ 250.04502 155.4
[M-H]- 226.04852 143.9
[M+NH4]+ 245.08962 162.2
[M+K]+ 266.01896 151.0
[M+H-H2O]+ 210.05306 134.8
[M+HCOO]- 272.05400 161.7
[M+CH3COO]- 286.06965 190.0
[M+Na-2H]- 248.03047 150.7
[M]+ 227.05525 141.4
[M]- 227.05635 141.4
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.