CID 91619940

7-bromo-3-nitroquinolin-4-amine

Structural Information

Molecular Formula
C9H6BrN3O2
SMILES
C1=CC2=C(C(=CN=C2C=C1Br)[N+](=O)[O-])N
InChI
InChI=1S/C9H6BrN3O2/c10-5-1-2-6-7(3-5)12-4-8(9(6)11)13(14)15/h1-4H,(H2,11,12)
InChIKey
RCSVAMYXGYIYHC-UHFFFAOYSA-N
Compound name
7-bromo-3-nitroquinolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

266.96432 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.971596 146.6
[M+Na]+ 289.953538 158.2
[M-H]- 265.957044 152.5
[M+NH4]+ 284.998143 165.3
[M+K]+ 305.927478 142.7
[M+H-H2O]+ 249.961580 149.4
[M+HCOO]- 311.962521 168.5
[M+CH3COO]- 325.978171 190.2
[M+Na-2H]- 287.938986 156.9
[M]+ 266.96377142 163.3
[M]- 266.96486858 163.3
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

patents stripe