CID 227241

N-(4-chlorophenyl)acrylamide

Structural Information

Molecular Formula
C9H8ClNO
SMILES
C=CC(=O)NC1=CC=C(C=C1)Cl
InChI
InChI=1S/C9H8ClNO/c1-2-9(12)11-8-5-3-7(10)4-6-8/h2-6H,1H2,(H,11,12)
InChIKey
JEPAGMKWFWQECH-UHFFFAOYSA-N
Compound name
N-(4-chlorophenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

276
Patents

181.02943 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.03671 135.7
[M+Na]+ 204.01865 148.9
[M+NH4]+ 199.06325 144.5
[M+K]+ 219.99259 141.7
[M-H]- 180.02215 138.2
[M+Na-2H]- 202.00410 143.0
[M]+ 181.02888 138.5
[M]- 181.02998 138.5
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

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