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]+ 238.977336 147.6
[M+Na]+ 260.959278 162.6
[M-H]- 236.962784 149.1
[M+NH4]+ 256.003883 164.5
[M+K]+ 276.933218 154.0
[M+H-H2O]+ 220.967320 136.9
[M+HCOO]- 282.968261 157.1
[M+CH3COO]- 296.983911 159.2
[M+Na-2H]- 258.944726 153.1
[M]+ 237.96951142 145.3
[M]- 237.97060858 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.