CID 736140

2,8-bis(trifluoromethyl)-4-hydroxyquinoline

Structural Information

Molecular Formula
C11H5F6NO
SMILES
C1=CC2=C(C(=C1)C(F)(F)F)NC(=CC2=O)C(F)(F)F
InChI
InChI=1S/C11H5F6NO/c12-10(13,14)6-3-1-2-5-7(19)4-8(11(15,16)17)18-9(5)6/h1-4H,(H,18,19)
InChIKey
JIWHKBAFGFPZKM-UHFFFAOYSA-N
Compound name
2,8-bis(trifluoromethyl)-1H-quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

57
Patents

281.02753 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.03481 154.3
[M+Na]+ 304.01675 166.2
[M-H]- 280.02025 149.4
[M+NH4]+ 299.06135 169.6
[M+K]+ 319.99069 160.0
[M+H-H2O]+ 264.02479 143.4
[M+HCOO]- 326.02573 165.8
[M+CH3COO]- 340.04138 195.9
[M+Na-2H]- 302.00220 159.7
[M]+ 281.02698 145.8
[M]- 281.02808 145.8
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