CID 68092728

6-bromo-3-iodoquinoline

Structural Information

Molecular Formula
C9H5BrIN
SMILES
C1=CC2=NC=C(C=C2C=C1Br)I
InChI
InChI=1S/C9H5BrIN/c10-7-1-2-9-6(3-7)4-8(11)5-12-9/h1-5H
InChIKey
QFKZVEBUKRNIAL-UHFFFAOYSA-N
Compound name
6-bromo-3-iodoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

332.86502 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.87230 141.1
[M+Na]+ 355.85424 147.4
[M-H]- 331.85774 140.4
[M+NH4]+ 350.89884 158.1
[M+K]+ 371.82818 142.0
[M+H-H2O]+ 315.86228 137.5
[M+HCOO]- 377.86322 156.9
[M+CH3COO]- 391.87887 152.6
[M+Na-2H]- 353.83969 140.5
[M]+ 332.86447 156.3
[M]- 332.86557 156.3
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