CID 53966317

3-bromo-2-iodoquinoline

Structural Information

Molecular Formula
C9H5BrIN
SMILES
C1=CC=C2C(=C1)C=C(C(=N2)I)Br
InChI
InChI=1S/C9H5BrIN/c10-7-5-6-3-1-2-4-8(6)12-9(7)11/h1-5H
InChIKey
JOMFAVRBFOBWQA-UHFFFAOYSA-N
Compound name
3-bromo-2-iodoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

332.86502 Da
Monoisotopic Mass

3.6
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

literature stripe

Patent stripe

patents stripe