CID 263663

P-chlorobenzylidenecyanoacetamide

Structural Information

Molecular Formula
C10H7ClN2O
SMILES
C1=CC(=CC=C1C=C(C#N)C(=O)N)Cl
InChI
InChI=1S/C10H7ClN2O/c11-9-3-1-7(2-4-9)5-8(6-12)10(13)14/h1-5H,(H2,13,14)
InChIKey
CXTSJKVCXQOGCX-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-2-cyanoprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

206.02469 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.031966 148.5
[M+Na]+ 229.013908 158.6
[M-H]- 205.017414 151.3
[M+NH4]+ 224.058513 165.7
[M+K]+ 244.987848 153.3
[M+H-H2O]+ 189.021950 137.0
[M+HCOO]- 251.022891 164.0
[M+CH3COO]- 265.038541 197.7
[M+Na-2H]- 226.999356 151.0
[M]+ 206.02414142 143.0
[M]- 206.02523858 143.0
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.