CID 43531983

8-(trifluoromethoxy)quinolin-4-ol

Structural Information

Molecular Formula
C10H6F3NO2
SMILES
C1=CC2=C(C(=C1)OC(F)(F)F)NC=CC2=O
InChI
InChI=1S/C10H6F3NO2/c11-10(12,13)16-8-3-1-2-6-7(15)4-5-14-9(6)8/h1-5H,(H,14,15)
InChIKey
AMUUZJLMLDZNCV-UHFFFAOYSA-N
Compound name
8-(trifluoromethoxy)-1H-quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

229.03506 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.042336 142.7
[M+Na]+ 252.024278 153.4
[M-H]- 228.027784 141.3
[M+NH4]+ 247.068883 160.0
[M+K]+ 267.998218 148.9
[M+H-H2O]+ 212.032320 134.0
[M+HCOO]- 274.033261 159.8
[M+CH3COO]- 288.048911 185.3
[M+Na-2H]- 250.009726 150.6
[M]+ 229.03451142 139.4
[M]- 229.03560858 139.4
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

patents stripe