CID 164173

7-chloro-4-[2-(trifluoromethyl)phenoxy]quinoline

Structural Information

Molecular Formula
C16H9ClF3NO
SMILES
C1=CC=C(C(=C1)C(F)(F)F)OC2=C3C=CC(=CC3=NC=C2)Cl
InChI
InChI=1S/C16H9ClF3NO/c17-10-5-6-11-13(9-10)21-8-7-14(11)22-15-4-2-1-3-12(15)16(18,19)20/h1-9H
InChIKey
MPKYZZCZMLSMAG-UHFFFAOYSA-N
Compound name
7-chloro-4-[2-(trifluoromethyl)phenoxy]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

323.03247 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.03975 168.3
[M+Na]+ 346.02169 179.7
[M-H]- 322.02519 171.0
[M+NH4]+ 341.06629 183.2
[M+K]+ 361.99563 172.3
[M+H-H2O]+ 306.02973 157.7
[M+HCOO]- 368.03067 181.1
[M+CH3COO]- 382.04632 179.4
[M+Na-2H]- 344.00714 174.6
[M]+ 323.03192 168.4
[M]- 323.03302 168.4
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

patents stripe