CID 81044

2-iodoquinoline

Structural Information

Molecular Formula
C9H6IN
SMILES
C1=CC=C2C(=C1)C=CC(=N2)I
InChI
InChI=1S/C9H6IN/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H
InChIKey
FRWYFWZENXDZMU-UHFFFAOYSA-N
Compound name
2-iodoquinoline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

31234
Patents

254.9545 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.961776 130.0
[M+Na]+ 277.943718 132.4
[M-H]- 253.947224 126.2
[M+NH4]+ 272.988323 146.1
[M+K]+ 293.917658 135.2
[M+H-H2O]+ 237.951760 120.0
[M+HCOO]- 299.952701 148.0
[M+CH3COO]- 313.968351 140.1
[M+Na-2H]- 275.929166 128.8
[M]+ 254.95395142 127.1
[M]- 254.95504858 127.1
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