CID 245968

N-(3-chlorophenyl)prop-2-enamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

12
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 135.4
[M+Na]+ 204.01865 144.1
[M-H]- 180.02215 139.3
[M+NH4]+ 199.06325 156.1
[M+K]+ 219.99259 139.9
[M+H-H2O]+ 164.02669 130.7
[M+HCOO]- 226.02763 156.1
[M+CH3COO]- 240.04328 181.5
[M+Na-2H]- 202.00410 141.5
[M]+ 181.02888 136.3
[M]- 181.02998 136.3
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

patents stripe