CID 10867614

439-91-8

Structural Information

Molecular Formula
C10H6F3NO
SMILES
C1=CC2=C(C=CC(=C2N=C1)O)C(F)(F)F
InChI
InChI=1S/C10H6F3NO/c11-10(12,13)7-3-4-8(15)9-6(7)2-1-5-14-9/h1-5,15H
InChIKey
ZFMWTITYVYZBCJ-UHFFFAOYSA-N
Compound name
5-(trifluoromethyl)quinolin-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

23
Patents

213.04015 Da
Monoisotopic Mass

2.9
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

literature stripe

Patent stripe

patents stripe