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

13
Patents

281.964 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.97128 150.7
[M+Na]+ 304.95322 162.7
[M-H]- 280.95672 157.2
[M+NH4]+ 299.99782 169.6
[M+K]+ 320.92716 148.3
[M+H-H2O]+ 264.96126 153.9
[M+HCOO]- 326.96220 172.2
[M+CH3COO]- 340.97785 191.3
[M+Na-2H]- 302.93867 161.3
[M]+ 281.96345 170.8
[M]- 281.96455 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