CID 43826486

873942-91-7

Structural Information

Molecular Formula
C11H8F3N3O2
SMILES
C1=CC2=C(C(=C1)C(F)(F)F)NC=C(C2=O)C(=O)NN
InChI
InChI=1S/C11H8F3N3O2/c12-11(13,14)7-3-1-2-5-8(7)16-4-6(9(5)18)10(19)17-15/h1-4H,15H2,(H,16,18)(H,17,19)
InChIKey
OETNJGVZOBKJOR-UHFFFAOYSA-N
Compound name
4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

271.05685 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.06413 154.0
[M+Na]+ 294.04607 163.5
[M-H]- 270.04957 152.3
[M+NH4]+ 289.09067 168.8
[M+K]+ 310.02001 158.5
[M+H-H2O]+ 254.05411 144.9
[M+HCOO]- 316.05505 171.4
[M+CH3COO]- 330.07070 198.7
[M+Na-2H]- 292.03152 159.5
[M]+ 271.05630 147.7
[M]- 271.05740 147.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.