CID 21984361

7-bromo-4-chloro-3-nitroquinoline

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

225
Patents

285.91446 Da
Monoisotopic Mass

3.3
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

literature stripe

Patent stripe

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