CID 12498504

4,7-dichloro-3-iodoquinoline

Structural Information

Molecular Formula
C9H4Cl2IN
SMILES
C1=CC2=C(C(=CN=C2C=C1Cl)I)Cl
InChI
InChI=1S/C9H4Cl2IN/c10-5-1-2-6-8(3-5)13-4-7(12)9(6)11/h1-4H
InChIKey
LCUQJSFUVCSBQE-UHFFFAOYSA-N
Compound name
4,7-dichloro-3-iodoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

322.87656 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.88384 136.9
[M+Na]+ 345.86578 142.2
[M-H]- 321.86928 132.8
[M+NH4]+ 340.91038 152.2
[M+K]+ 361.83972 142.1
[M+H-H2O]+ 305.87382 128.5
[M+HCOO]- 367.87476 145.7
[M+CH3COO]- 381.89041 146.7
[M+Na-2H]- 343.85123 133.7
[M]+ 322.87601 137.7
[M]- 322.87711 137.7
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