CID 121552814

3-chloro-2-phenylprop-2-enamide

Structural Information

Molecular Formula
C9H8ClNO
SMILES
C1=CC=C(C=C1)/C(=C\Cl)/C(=O)N
InChI
InChI=1S/C9H8ClNO/c10-6-8(9(11)12)7-4-2-1-3-5-7/h1-6H,(H2,11,12)/b8-6+
InChIKey
LGLMCVXVVHYYHG-SOFGYWHQSA-N
Compound name
(E)-3-chloro-2-phenylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.02943 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.036706 136.6
[M+Na]+ 204.018648 144.1
[M-H]- 180.022154 139.7
[M+NH4]+ 199.063253 156.7
[M+K]+ 219.992588 140.0
[M+H-H2O]+ 164.026690 131.8
[M+HCOO]- 226.027631 155.7
[M+CH3COO]- 240.043281 180.6
[M+Na-2H]- 202.004096 141.1
[M]+ 181.02888142 135.5
[M]- 181.02997858 135.5
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.