CID 494072

Nsc99071

Structural Information

Molecular Formula
C11H5BrClNO
SMILES
C1=CC2=NC3=C(C=C2C=C1Cl)C(=CO3)Br
InChI
InChI=1S/C11H5BrClNO/c12-9-5-15-11-8(9)4-6-3-7(13)1-2-10(6)14-11/h1-5H
InChIKey
RLVZQUCMTYOLQT-UHFFFAOYSA-N
Compound name
3-bromo-6-chlorofuro[2,3-b]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.9243 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.93158 150.7
[M+Na]+ 303.91352 167.6
[M-H]- 279.91702 159.2
[M+NH4]+ 298.95812 173.2
[M+K]+ 319.88746 155.6
[M+H-H2O]+ 263.92156 151.8
[M+HCOO]- 325.92250 167.6
[M+CH3COO]- 339.93815 167.2
[M+Na-2H]- 301.89897 160.7
[M]+ 280.92375 175.1
[M]- 280.92485 175.1
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

No patent data available for this compound.