CID 121237069

7-bromo-4-chloro-3-iodoquinoline

Structural Information

Molecular Formula
C9H4BrClIN
SMILES
C1=CC2=C(C(=CN=C2C=C1Br)I)Cl
InChI
InChI=1S/C9H4BrClIN/c10-5-1-2-6-8(3-5)13-4-7(12)9(6)11/h1-4H
InChIKey
LEISMFMZXHFCHK-UHFFFAOYSA-N
Compound name
7-bromo-4-chloro-3-iodoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

366.82605 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.83333 143.4
[M+Na]+ 389.81527 151.5
[M-H]- 365.81877 142.9
[M+NH4]+ 384.85987 160.3
[M+K]+ 405.78921 144.4
[M+H-H2O]+ 349.82331 140.6
[M+HCOO]- 411.82425 155.2
[M+CH3COO]- 425.83990 155.1
[M+Na-2H]- 387.80072 142.1
[M]+ 366.82550 160.7
[M]- 366.82660 160.7
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