CID 44426084

Chembl441727

Structural Information

Molecular Formula
C10H10ClNO
SMILES
CC(=O)N/C=C/C1=CC(=CC=C1)Cl
InChI
InChI=1S/C10H10ClNO/c1-8(13)12-6-5-9-3-2-4-10(11)7-9/h2-7H,1H3,(H,12,13)/b6-5+
InChIKey
BYMLSENWIDJAEJ-AATRIKPKSA-N
Compound name
N-[(E)-2-(3-chlorophenyl)ethenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

195.04509 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.05237 140.4
[M+Na]+ 218.03431 148.7
[M-H]- 194.03781 144.1
[M+NH4]+ 213.07891 160.6
[M+K]+ 234.00825 144.2
[M+H-H2O]+ 178.04235 135.5
[M+HCOO]- 240.04329 160.8
[M+CH3COO]- 254.05894 183.9
[M+Na-2H]- 216.01976 145.9
[M]+ 195.04454 141.5
[M]- 195.04564 141.5
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.