CID 94809

5-bromo-6-methoxy-8-nitroquinoline

Structural Information

Molecular Formula
C10H7BrN2O3
SMILES
COC1=C(C2=C(C(=C1)[N+](=O)[O-])N=CC=C2)Br
InChI
InChI=1S/C10H7BrN2O3/c1-16-8-5-7(13(14)15)10-6(9(8)11)3-2-4-12-10/h2-5H,1H3
InChIKey
SDMIYMJTQNOZRV-UHFFFAOYSA-N
Compound name
5-bromo-6-methoxy-8-nitroquinoline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

18
Patents

281.964 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.971276 150.7
[M+Na]+ 304.953218 162.7
[M-H]- 280.956724 157.2
[M+NH4]+ 299.997823 169.6
[M+K]+ 320.927158 148.3
[M+H-H2O]+ 264.961260 153.9
[M+HCOO]- 326.962201 172.2
[M+CH3COO]- 340.977851 191.3
[M+Na-2H]- 302.938666 161.3
[M]+ 281.96345142 170.8
[M]- 281.96454858 170.8
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