CID 1550280

(z)-3-(4-chlorophenyl)-2-cyanoprop-2-enamide

Structural Information

Molecular Formula
C10H7ClN2O
SMILES
C1=CC(=CC=C1/C=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)/b8-5-
InChIKey
CXTSJKVCXQOGCX-YVMONPNESA-N
Compound name
(Z)-3-(4-chlorophenyl)-2-cyanoprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.02469 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.03197 148.5
[M+Na]+ 229.01391 158.6
[M-H]- 205.01741 151.3
[M+NH4]+ 224.05851 165.7
[M+K]+ 244.98785 153.3
[M+H-H2O]+ 189.02195 137.0
[M+HCOO]- 251.02289 164.0
[M+CH3COO]- 265.03854 197.7
[M+Na-2H]- 226.99936 151.0
[M]+ 206.02414 143.0
[M]- 206.02524 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.