CID 46844274

2-chloro-n-(4-ethynylphenyl)acetamide

Structural Information

Molecular Formula
C10H8ClNO
SMILES
C#CC1=CC=C(C=C1)NC(=O)CCl
InChI
InChI=1S/C10H8ClNO/c1-2-8-3-5-9(6-4-8)12-10(13)7-11/h1,3-6H,7H2,(H,12,13)
InChIKey
DRMCPPQLVNCYAC-UHFFFAOYSA-N
Compound name
2-chloro-N-(4-ethynylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.02943 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.03671 139.1
[M+Na]+ 216.01865 151.8
[M+NH4]+ 211.06325 144.2
[M+K]+ 231.99259 141.9
[M-H]- 192.02215 133.6
[M+Na-2H]- 214.00410 143.2
[M]+ 193.02888 138.8
[M]- 193.02998 138.8
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.