CID 17750386

8-iodoquinoline

Structural Information

Molecular Formula
C9H6IN
SMILES
C1=CC2=C(C(=C1)I)N=CC=C2
InChI
InChI=1S/C9H6IN/c10-8-5-1-3-7-4-2-6-11-9(7)8/h1-6H
InChIKey
OBEGSKDGFBFMFJ-UHFFFAOYSA-N
Compound name
8-iodoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

182
Patents

254.9545 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.96178 130.0
[M+Na]+ 277.94372 132.4
[M-H]- 253.94722 126.2
[M+NH4]+ 272.98832 146.1
[M+K]+ 293.91766 135.2
[M+H-H2O]+ 237.95176 120.0
[M+HCOO]- 299.95270 148.0
[M+CH3COO]- 313.96835 140.1
[M+Na-2H]- 275.92917 128.8
[M]+ 254.95395 127.1
[M]- 254.95505 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.