CID 264150

Nsc99070

Structural Information

Molecular Formula
C11H4BrCl2NO
SMILES
C1=C2C=C(C(=CC2=NC3=C1C(=CO3)Br)Cl)Cl
InChI
InChI=1S/C11H4BrCl2NO/c12-7-4-16-11-6(7)1-5-2-8(13)9(14)3-10(5)15-11/h1-4H
InChIKey
QFZGLIGMDNEGFO-UHFFFAOYSA-N
Compound name
3-bromo-6,7-dichlorofuro[2,3-b]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.8853 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.89258 156.1
[M+Na]+ 337.87452 174.2
[M-H]- 313.87802 164.0
[M+NH4]+ 332.91912 177.9
[M+K]+ 353.84846 161.1
[M+H-H2O]+ 297.88256 157.6
[M+HCOO]- 359.88350 167.9
[M+CH3COO]- 373.89915 172.1
[M+Na-2H]- 335.85997 164.7
[M]+ 314.88475 181.5
[M]- 314.88585 181.5
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.