CID 165673003

4-amino-7-iodoquinoline-3-carbonitrile

Structural Information

Molecular Formula
C10H6IN3
SMILES
C1=CC2=C(C(=CN=C2C=C1I)C#N)N
InChI
InChI=1S/C10H6IN3/c11-7-1-2-8-9(3-7)14-5-6(4-12)10(8)13/h1-3,5H,(H2,13,14)
InChIKey
FSGOYOIMDNRDEU-UHFFFAOYSA-N
Compound name
4-amino-7-iodoquinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.96063 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.96791 149.1
[M+Na]+ 317.94985 154.3
[M-H]- 293.95335 145.1
[M+NH4]+ 312.99445 161.8
[M+K]+ 333.92379 154.3
[M+H-H2O]+ 277.95789 133.1
[M+HCOO]- 339.95883 163.6
[M+CH3COO]- 353.97448 156.8
[M+Na-2H]- 315.93530 145.0
[M]+ 294.96008 140.9
[M]- 294.96118 140.9
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.