CID 43668644

6-bromo-4-chloro-8-fluoro-2-(trifluoromethyl)quinoline

Structural Information

Molecular Formula
C10H3BrClF4N
SMILES
C1=C(C=C(C2=C1C(=CC(=N2)C(F)(F)F)Cl)F)Br
InChI
InChI=1S/C10H3BrClF4N/c11-4-1-5-6(12)3-8(10(14,15)16)17-9(5)7(13)2-4/h1-3H
InChIKey
OWBCVGVZBRRHTN-UHFFFAOYSA-N
Compound name
6-bromo-4-chloro-8-fluoro-2-(trifluoromethyl)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.90735 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.91463 159.2
[M+Na]+ 349.89657 175.7
[M-H]- 325.90007 161.1
[M+NH4]+ 344.94117 178.5
[M+K]+ 365.87051 160.9
[M+H-H2O]+ 309.90461 156.8
[M+HCOO]- 371.90555 169.6
[M+CH3COO]- 385.92120 202.6
[M+Na-2H]- 347.88202 165.5
[M]+ 326.90680 175.8
[M]- 326.90790 175.8
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.