CID 2987297

Rhodblock 3

Structural Information

Molecular Formula
C11H10ClNO2
SMILES
CC1=CC2=C(C=C1Cl)C(=CO2)CC(=O)N
InChI
InChI=1S/C11H10ClNO2/c1-6-2-10-8(4-9(6)12)7(5-15-10)3-11(13)14/h2,4-5H,3H2,1H3,(H2,13,14)
InChIKey
DJJRJQKRSSUZIN-UHFFFAOYSA-N
Compound name
2-(5-chloro-6-methyl-1-benzofuran-3-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

223.04001 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.047286 146.4
[M+Na]+ 246.029228 158.1
[M-H]- 222.032734 152.3
[M+NH4]+ 241.073833 167.4
[M+K]+ 262.003168 154.4
[M+H-H2O]+ 206.037270 142.0
[M+HCOO]- 268.038211 166.9
[M+CH3COO]- 282.053861 190.0
[M+Na-2H]- 244.014676 151.5
[M]+ 223.03946142 151.7
[M]- 223.04055858 151.7
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