CID 19898697

2-chloro-6-iodoquinoline

Structural Information

Molecular Formula
C9H5ClIN
SMILES
C1=CC2=C(C=CC(=N2)Cl)C=C1I
InChI
InChI=1S/C9H5ClIN/c10-9-4-1-6-5-7(11)2-3-8(6)12-9/h1-5H
InChIKey
UGLKNANWWDCXKD-UHFFFAOYSA-N
Compound name
2-chloro-6-iodoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

288.91553 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.92281 138.0
[M+Na]+ 311.90475 147.1
[M+NH4]+ 306.94935 144.3
[M+K]+ 327.87869 141.9
[M-H]- 287.90825 135.5
[M+Na-2H]- 309.89020 134.8
[M]+ 288.91498 138.0
[M]- 288.91608 138.0
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