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 156.4
[M+Na]+ 226.99825 167.6
[M-H]- 203.00175 159.4
[M+NH4]+ 222.04285 169.3
[M+K]+ 242.97219 162.1
[M+H-H2O]+ 187.00629 142.7
[M+HCOO]- 249.00723 165.4
[M+CH3COO]- 263.02288 214.3
[M+Na-2H]- 224.98370 157.6
[M]+ 204.00848 148.9
[M]- 204.00958 148.9
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

patents stripe