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

12
Patents

215.03493 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.04221 146.0
[M+Na]+ 238.02415 154.1
[M-H]- 214.02765 150.4
[M+NH4]+ 233.06875 165.6
[M+K]+ 253.99809 152.3
[M+H-H2O]+ 198.03219 141.1
[M+HCOO]- 260.03313 165.8
[M+CH3COO]- 274.04878 186.5
[M+Na-2H]- 236.00960 149.4
[M]+ 215.03438 150.3
[M]- 215.03548 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