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]+ 214.04743 140.3
[M+Na]+ 236.02937 150.9
[M-H]- 212.03287 138.9
[M+NH4]+ 231.07397 158.4
[M+K]+ 252.00331 146.4
[M+H-H2O]+ 196.03741 131.7
[M+HCOO]- 258.03835 157.0
[M+CH3COO]- 272.05400 184.0
[M+Na-2H]- 234.01482 148.2
[M]+ 213.03960 136.2
[M]- 213.04070 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.