CID 102614128

6-bromo-4-chloro-8-fluoro-3-nitroquinoline

Structural Information

Molecular Formula
C9H3BrClFN2O2
SMILES
C1=C(C=C(C2=NC=C(C(=C21)Cl)[N+](=O)[O-])F)Br
InChI
InChI=1S/C9H3BrClFN2O2/c10-4-1-5-8(11)7(14(15)16)3-13-9(5)6(12)2-4/h1-3H
InChIKey
XNXQLNFWNNFGRQ-UHFFFAOYSA-N
Compound name
6-bromo-4-chloro-8-fluoro-3-nitroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

303.90506 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.91234 152.1
[M+Na]+ 326.89428 166.2
[M-H]- 302.89778 157.3
[M+NH4]+ 321.93888 171.1
[M+K]+ 342.86822 149.5
[M+H-H2O]+ 286.90232 155.7
[M+HCOO]- 348.90326 168.3
[M+CH3COO]- 362.91891 193.6
[M+Na-2H]- 324.87973 161.2
[M]+ 303.90451 171.8
[M]- 303.90561 171.8
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

patents stripe