CID 2800253

2-chloro-n-(3-ethynylphenyl)acetamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.02943 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.03671 142.2
[M+Na]+ 216.01865 153.0
[M-H]- 192.02215 144.4
[M+NH4]+ 211.06325 160.2
[M+K]+ 231.99259 147.1
[M+H-H2O]+ 176.02669 131.4
[M+HCOO]- 238.02763 157.0
[M+CH3COO]- 252.04328 191.6
[M+Na-2H]- 214.00410 146.6
[M]+ 193.02888 137.9
[M]- 193.02998 137.9
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.