CID 104523

53518-19-7

Structural Information

Molecular Formula
C14H12F3NO2
SMILES
CN1CCCC2=CC3=C(C=C21)OC(=O)C=C3C(F)(F)F
InChI
InChI=1S/C14H12F3NO2/c1-18-4-2-3-8-5-9-10(14(15,16)17)6-13(19)20-12(9)7-11(8)18/h5-7H,2-4H2,1H3
InChIKey
IMVPLRZGEHZIEM-UHFFFAOYSA-N
Compound name
9-methyl-4-(trifluoromethyl)-7,8-dihydro-6H-pyrano[3,2-g]quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

98
Patents

283.082 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.08928 160.4
[M+Na]+ 306.07122 171.2
[M-H]- 282.07472 161.6
[M+NH4]+ 301.11582 176.2
[M+K]+ 322.04516 167.3
[M+H-H2O]+ 266.07926 150.6
[M+HCOO]- 328.08020 173.5
[M+CH3COO]- 342.09585 200.9
[M+Na-2H]- 304.05667 166.9
[M]+ 283.08145 157.6
[M]- 283.08255 157.6
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

patents stripe