CID 17979854

6-bromo-2-chloro-3-nitroquinoline

Structural Information

Molecular Formula
C9H4BrClN2O2
SMILES
C1=CC2=NC(=C(C=C2C=C1Br)[N+](=O)[O-])Cl
InChI
InChI=1S/C9H4BrClN2O2/c10-6-1-2-7-5(3-6)4-8(13(14)15)9(11)12-7/h1-4H
InChIKey
BWNVKAXQIQJPBI-UHFFFAOYSA-N
Compound name
6-bromo-2-chloro-3-nitroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

285.91446 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.92174 149.0
[M+Na]+ 308.90368 162.3
[M-H]- 284.90718 155.2
[M+NH4]+ 303.94828 168.6
[M+K]+ 324.87762 146.0
[M+H-H2O]+ 268.91172 153.4
[M+HCOO]- 330.91266 166.2
[M+CH3COO]- 344.92831 190.1
[M+Na-2H]- 306.88913 159.4
[M]+ 285.91391 169.4
[M]- 285.91501 169.4
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