CID 2775104

6-(trifluoromethoxy)-4-quinolinol

Structural Information

Molecular Formula
C10H6F3NO2
SMILES
C1=CC2=C(C=C1OC(F)(F)F)C(=O)C=CN2
InChI
InChI=1S/C10H6F3NO2/c11-10(12,13)16-6-1-2-8-7(5-6)9(15)3-4-14-8/h1-5H,(H,14,15)
InChIKey
LFCAVZDSLWEEOX-UHFFFAOYSA-N
Compound name
6-(trifluoromethoxy)-1H-quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

35
Patents

229.03506 Da
Monoisotopic Mass

1.8
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

literature stripe

Patent stripe

patents stripe