CID 53438635

8-chloro-3-iodoquinoline

Structural Information

Molecular Formula
C9H5ClIN
SMILES
C1=CC2=CC(=CN=C2C(=C1)Cl)I
InChI
InChI=1S/C9H5ClIN/c10-8-3-1-2-6-4-7(11)5-12-9(6)8/h1-5H
InChIKey
CLABEFPWOLGBAP-UHFFFAOYSA-N
Compound name
8-chloro-3-iodoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

288.91553 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.92281 133.5
[M+Na]+ 311.90475 137.6
[M-H]- 287.90825 129.9
[M+NH4]+ 306.94935 149.5
[M+K]+ 327.87869 138.7
[M+H-H2O]+ 271.91279 124.4
[M+HCOO]- 333.91373 147.2
[M+CH3COO]- 347.92938 143.7
[M+Na-2H]- 309.89020 131.4
[M]+ 288.91498 133.0
[M]- 288.91608 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