CID 15847

4-chlorobenzylidenemalononitrile

Structural Information

Molecular Formula
C10H5ClN2
SMILES
C1=CC(=CC=C1C=C(C#N)C#N)Cl
InChI
InChI=1S/C10H5ClN2/c11-10-3-1-8(2-4-10)5-9(6-12)7-13/h1-5H
InChIKey
FQSXBLOWLYPURG-UHFFFAOYSA-N
Compound name
2-[(4-chlorophenyl)methylidene]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

143
Patents

188.01413 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.02141 153.9
[M+Na]+ 211.00335 165.0
[M-H]- 187.00685 157.5
[M+NH4]+ 206.04795 167.5
[M+K]+ 226.97729 159.2
[M+H-H2O]+ 171.01139 139.8
[M+HCOO]- 233.01233 163.7
[M+CH3COO]- 247.02798 214.0
[M+Na-2H]- 208.98880 156.0
[M]+ 188.01358 146.5
[M]- 188.01468 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