CID 18089

2,4-dichlorobenzylidenemalononitrile

Structural Information

Molecular Formula
C10H4Cl2N2
SMILES
C1=CC(=C(C=C1Cl)Cl)C=C(C#N)C#N
InChI
InChI=1S/C10H4Cl2N2/c11-9-2-1-8(10(12)4-9)3-7(5-13)6-14/h1-4H
InChIKey
RRVZSQGJZJMCAE-UHFFFAOYSA-N
Compound name
2-[(2,4-dichlorophenyl)methylidene]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

66
Patents

221.97516 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.98244 156.8
[M+Na]+ 244.96438 169.0
[M-H]- 220.96788 160.3
[M+NH4]+ 240.00898 170.1
[M+K]+ 260.93832 162.2
[M+H-H2O]+ 204.97242 143.8
[M+HCOO]- 266.97336 163.5
[M+CH3COO]- 280.98901 217.6
[M+Na-2H]- 242.94983 158.1
[M]+ 221.97461 150.6
[M]- 221.97571 150.6
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.