CID 6273889

Nsc659248

Structural Information

Molecular Formula
C12H6Cl2N2
SMILES
C1=CC(=C(C(=C1)Cl)/C=C/C=C(C#N)C#N)Cl
InChI
InChI=1S/C12H6Cl2N2/c13-11-5-2-6-12(14)10(11)4-1-3-9(7-15)8-16/h1-6H/b4-1+
InChIKey
AQHXDGSVFZHQHH-DAFODLJHSA-N
Compound name
2-[(E)-3-(2,6-dichlorophenyl)prop-2-enylidene]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.9908 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.99808 163.7
[M+Na]+ 270.98002 175.6
[M-H]- 246.98352 167.1
[M+NH4]+ 266.02462 176.4
[M+K]+ 286.95396 168.0
[M+H-H2O]+ 230.98806 150.5
[M+HCOO]- 292.98900 170.1
[M+CH3COO]- 307.00465 220.4
[M+Na-2H]- 268.96547 164.2
[M]+ 247.99025 157.5
[M]- 247.99135 157.5
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.