CID 23438383

364793-65-7

Structural Information

Molecular Formula
C10H5IN2O
SMILES
C1=CC2=C(C=C1I)NC=C(C2=O)C#N
InChI
InChI=1S/C10H5IN2O/c11-7-1-2-8-9(3-7)13-5-6(4-12)10(8)14/h1-3,5H,(H,13,14)
InChIKey
PIUNYAISORRMIV-UHFFFAOYSA-N
Compound name
7-iodo-4-oxo-1H-quinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

295.94467 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.95195 145.7
[M+Na]+ 318.93389 151.6
[M-H]- 294.93739 141.2
[M+NH4]+ 313.97849 158.4
[M+K]+ 334.90783 151.0
[M+H-H2O]+ 278.94193 130.3
[M+HCOO]- 340.94287 159.2
[M+CH3COO]- 354.95852 153.6
[M+Na-2H]- 316.91934 142.0
[M]+ 295.94412 138.1
[M]- 295.94522 138.1
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