CID 16728098

1-[4-[2,8-bis(trifluoromethyl)-4-quinolyl]phenyl]ethanone

Structural Information

Molecular Formula
C19H11F6NO
SMILES
CC(=O)C1=CC=C(C=C1)C2=CC(=NC3=C2C=CC=C3C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C19H11F6NO/c1-10(27)11-5-7-12(8-6-11)14-9-16(19(23,24)25)26-17-13(14)3-2-4-15(17)18(20,21)22/h2-9H,1H3
InChIKey
BBQKWYKFZMIBPR-UHFFFAOYSA-N
Compound name
1-[4-[2,8-bis(trifluoromethyl)quinolin-4-yl]phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

383.0745 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.08178 186.2
[M+Na]+ 406.06372 196.9
[M-H]- 382.06722 185.3
[M+NH4]+ 401.10832 197.6
[M+K]+ 422.03766 189.6
[M+H-H2O]+ 366.07176 172.6
[M+HCOO]- 428.07270 196.6
[M+CH3COO]- 442.08835 219.8
[M+Na-2H]- 404.04917 188.2
[M]+ 383.07395 179.7
[M]- 383.07505 179.7
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

No patent data available for this compound.