CID 17604

2698-41-1

Structural Information

Molecular Formula
C10H5ClN2
SMILES
C1=CC=C(C(=C1)C=C(C#N)C#N)Cl
InChI
InChI=1S/C10H5ClN2/c11-10-4-2-1-3-9(10)5-8(6-12)7-13/h1-5H
InChIKey
JJNZXLAFIPKXIG-UHFFFAOYSA-N
Compound name
2-[(2-chlorophenyl)methylidene]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

150
References

1175
Patents

188.01413 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.021406 153.9
[M+Na]+ 211.003348 165.0
[M-H]- 187.006854 157.5
[M+NH4]+ 206.047953 167.5
[M+K]+ 226.977288 159.2
[M+H-H2O]+ 171.011390 139.8
[M+HCOO]- 233.012331 163.7
[M+CH3COO]- 247.027981 214.0
[M+Na-2H]- 208.988796 156.0
[M]+ 188.01358142 146.5
[M]- 188.01467858 146.5
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