CID 2393628

115865-57-1

Structural Information

Molecular Formula
C9H10ClNO3
SMILES
CC(=O)NCC1=CC=C(O1)C(=O)CCl
InChI
InChI=1S/C9H10ClNO3/c1-6(12)11-5-7-2-3-9(14-7)8(13)4-10/h2-3H,4-5H2,1H3,(H,11,12)
InChIKey
CECVWYQULDGTQX-UHFFFAOYSA-N
Compound name
N-[[5-(2-chloroacetyl)furan-2-yl]methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

215.03493 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.042206 146.0
[M+Na]+ 238.024148 154.1
[M-H]- 214.027654 150.4
[M+NH4]+ 233.068753 165.6
[M+K]+ 253.998088 152.3
[M+H-H2O]+ 198.032190 141.1
[M+HCOO]- 260.033131 165.8
[M+CH3COO]- 274.048781 186.5
[M+Na-2H]- 236.009596 149.4
[M]+ 215.03438142 150.3
[M]- 215.03547858 150.3
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

patents stripe