CID 14616623

2-chloro-3-iodoquinoline

Structural Information

Molecular Formula
C9H5ClIN
SMILES
C1=CC=C2C(=C1)C=C(C(=N2)Cl)I
InChI
InChI=1S/C9H5ClIN/c10-9-7(11)5-6-3-1-2-4-8(6)12-9/h1-5H
InChIKey
VAKSSUOSONRGPR-UHFFFAOYSA-N
Compound name
2-chloro-3-iodoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

90
Patents

288.91553 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.922806 133.5
[M+Na]+ 311.904748 137.6
[M-H]- 287.908254 129.9
[M+NH4]+ 306.949353 149.5
[M+K]+ 327.878688 138.7
[M+H-H2O]+ 271.912790 124.4
[M+HCOO]- 333.913731 147.2
[M+CH3COO]- 347.929381 143.7
[M+Na-2H]- 309.890196 131.4
[M]+ 288.91498142 133.0
[M]- 288.91607858 133.0
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