CID 21443

Malononitrile, (5-chloro-2-hydroxybenzylidene)-

Structural Information

Molecular Formula
C10H5ClN2O
SMILES
C1=CC(=C(C=C1Cl)C=C(C#N)C#N)O
InChI
InChI=1S/C10H5ClN2O/c11-9-1-2-10(14)8(4-9)3-7(5-12)6-13/h1-4,14H
InChIKey
YNDWMWPHAMWBLG-UHFFFAOYSA-N
Compound name
2-[(5-chloro-2-hydroxyphenyl)methylidene]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.00903 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.01631 164.3
[M+Na]+ 226.99825 173.6
[M+NH4]+ 222.04285 165.1
[M+K]+ 242.97219 163.1
[M-H]- 203.00175 154.3
[M+Na-2H]- 224.98370 163.9
[M]+ 204.00848 161.7
[M]- 204.00958 161.7
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

No patent data available for this compound.