CID 97289405

8-(trifluoromethyl)quinolin-3-ol

Structural Information

Molecular Formula
C10H6F3NO
SMILES
C1=CC2=CC(=CN=C2C(=C1)C(F)(F)F)O
InChI
InChI=1S/C10H6F3NO/c11-10(12,13)8-3-1-2-6-4-7(15)5-14-9(6)8/h1-5,15H
InChIKey
QCSXDNLSKDXEOX-UHFFFAOYSA-N
Compound name
8-(trifluoromethyl)quinolin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.04015 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.047426 140.3
[M+Na]+ 236.029368 150.9
[M-H]- 212.032874 138.9
[M+NH4]+ 231.073973 158.4
[M+K]+ 252.003308 146.4
[M+H-H2O]+ 196.037410 131.7
[M+HCOO]- 258.038351 157.0
[M+CH3COO]- 272.054001 184.0
[M+Na-2H]- 234.014816 148.2
[M]+ 213.03960142 136.2
[M]- 213.04069858 136.2
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.