CID 103481162

4,8-dibromo-7-chloroquinoline

Structural Information

Molecular Formula
C9H4Br2ClN
SMILES
C1=CC(=C(C2=NC=CC(=C21)Br)Br)Cl
InChI
InChI=1S/C9H4Br2ClN/c10-6-3-4-13-9-5(6)1-2-7(12)8(9)11/h1-4H
InChIKey
QPNLGHCSLJAYMS-UHFFFAOYSA-N
Compound name
4,8-dibromo-7-chloroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.8399 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.84718 139.5
[M+Na]+ 341.82912 153.3
[M-H]- 317.83262 146.5
[M+NH4]+ 336.87372 159.1
[M+K]+ 357.80306 136.7
[M+H-H2O]+ 301.83716 148.7
[M+HCOO]- 363.83810 151.5
[M+CH3COO]- 377.85375 154.4
[M+Na-2H]- 339.81457 148.8
[M]+ 318.83935 175.4
[M]- 318.84045 175.4
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.