CID 24701756

6,8-dichloro-4-hydroxyquinoline-3-carbonitrile

Structural Information

Molecular Formula
C10H4Cl2N2O
SMILES
C1=C(C=C(C2=C1C(=O)C(=CN2)C#N)Cl)Cl
InChI
InChI=1S/C10H4Cl2N2O/c11-6-1-7-9(8(12)2-6)14-4-5(3-13)10(7)15/h1-2,4H,(H,14,15)
InChIKey
QPJHYFRMQTUEID-UHFFFAOYSA-N
Compound name
6,8-dichloro-4-oxo-1H-quinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.97006 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.97734 147.6
[M+Na]+ 260.95928 162.6
[M-H]- 236.96278 149.1
[M+NH4]+ 256.00388 164.5
[M+K]+ 276.93322 154.0
[M+H-H2O]+ 220.96732 136.9
[M+HCOO]- 282.96826 157.1
[M+CH3COO]- 296.98391 159.2
[M+Na-2H]- 258.94473 153.1
[M]+ 237.96951 145.3
[M]- 237.97061 145.3
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.