CID 16227044

877041-39-9

Structural Information

Molecular Formula
C10H12ClNO3
SMILES
CC(C(=O)C1=CC=C(O1)CNC(=O)C)Cl
InChI
InChI=1S/C10H12ClNO3/c1-6(11)10(14)9-4-3-8(15-9)5-12-7(2)13/h3-4,6H,5H2,1-2H3,(H,12,13)
InChIKey
USJXRMSQAUJOMB-UHFFFAOYSA-N
Compound name
N-[[5-(2-chloropropanoyl)furan-2-yl]methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.05057 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.057846 151.0
[M+Na]+ 252.039788 158.4
[M-H]- 228.043294 155.4
[M+NH4]+ 247.084393 169.9
[M+K]+ 268.013728 156.8
[M+H-H2O]+ 212.047830 146.1
[M+HCOO]- 274.048771 169.4
[M+CH3COO]- 288.064421 190.5
[M+Na-2H]- 250.025236 152.6
[M]+ 229.05002142 155.0
[M]- 229.05111858 155.0
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.