CID 11253836

3-iodoquinoline

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

195
Patents

254.9545 Da
Monoisotopic Mass

2.8
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

literature stripe

Patent stripe

patents stripe