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]+ 182.03671 136.6
[M+Na]+ 204.01865 144.1
[M-H]- 180.02215 139.7
[M+NH4]+ 199.06325 156.7
[M+K]+ 219.99259 140.0
[M+H-H2O]+ 164.02669 131.8
[M+HCOO]- 226.02763 155.7
[M+CH3COO]- 240.04328 180.6
[M+Na-2H]- 202.00410 141.1
[M]+ 181.02888 135.5
[M]- 181.02998 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.