CID 219328

(3,4-dichlorobenzylidene)malononitrile

Structural Information

Molecular Formula
C10H4Cl2N2
SMILES
C1=CC(=C(C=C1C=C(C#N)C#N)Cl)Cl
InChI
InChI=1S/C10H4Cl2N2/c11-9-2-1-7(4-10(9)12)3-8(5-13)6-14/h1-4H
InChIKey
LHEPUPUAFKDYOB-UHFFFAOYSA-N
Compound name
2-[(3,4-dichlorophenyl)methylidene]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

221.97516 Da
Monoisotopic Mass

3.3
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

literature stripe

Patent stripe

patents stripe