CID 314576

2-(trifluoromethyl)quinolin-4-ol

Structural Information

Molecular Formula
C10H6F3NO
SMILES
C1=CC=C2C(=C1)C(=O)C=C(N2)C(F)(F)F
InChI
InChI=1S/C10H6F3NO/c11-10(12,13)9-5-8(15)6-3-1-2-4-7(6)14-9/h1-5H,(H,14,15)
InChIKey
SUNAMHNJYSQUPL-UHFFFAOYSA-N
Compound name
2-(trifluoromethyl)-1H-quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

235
Patents

213.04015 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.04743 139.4
[M+Na]+ 236.02937 150.3
[M-H]- 212.03287 138.1
[M+NH4]+ 231.07397 157.5
[M+K]+ 252.00331 145.2
[M+H-H2O]+ 196.03741 130.9
[M+HCOO]- 258.03835 156.3
[M+CH3COO]- 272.05400 183.2
[M+Na-2H]- 234.01482 147.3
[M]+ 213.03960 134.6
[M]- 213.04070 134.6
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