CID 25324065

944901-18-2

Structural Information

Molecular Formula
C10H8F3NO
SMILES
C1CC2=C(C=C(C=N2)C(F)(F)F)C(=O)C1
InChI
InChI=1S/C10H8F3NO/c11-10(12,13)6-4-7-8(14-5-6)2-1-3-9(7)15/h4-5H,1-3H2
InChIKey
PPBDRJRJPMFIMA-UHFFFAOYSA-N
Compound name
3-(trifluoromethyl)-7,8-dihydro-6H-quinolin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.0558 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.06308 141.8
[M+Na]+ 238.04502 151.0
[M-H]- 214.04852 141.1
[M+NH4]+ 233.08962 160.3
[M+K]+ 254.01896 147.3
[M+H-H2O]+ 198.05306 133.0
[M+HCOO]- 260.05400 157.3
[M+CH3COO]- 274.06965 186.4
[M+Na-2H]- 236.03047 148.1
[M]+ 215.05525 135.9
[M]- 215.05635 136.0
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.