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]+ 230.05785 151.0
[M+Na]+ 252.03979 158.4
[M-H]- 228.04329 155.4
[M+NH4]+ 247.08439 169.9
[M+K]+ 268.01373 156.8
[M+H-H2O]+ 212.04783 146.1
[M+HCOO]- 274.04877 169.4
[M+CH3COO]- 288.06442 190.5
[M+Na-2H]- 250.02524 152.6
[M]+ 229.05002 155.0
[M]- 229.05112 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.