CID 3058405

2,2-dichloro-n-methyl-n-((5-methyl-2-furanyl)methyl)acetamide

Structural Information

Molecular Formula
C9H11Cl2NO2
SMILES
CC1=CC=C(O1)CN(C)C(=O)C(Cl)Cl
InChI
InChI=1S/C9H11Cl2NO2/c1-6-3-4-7(14-6)5-12(2)9(13)8(10)11/h3-4,8H,5H2,1-2H3
InChIKey
LMZYKZDVYKBBNX-UHFFFAOYSA-N
Compound name
2,2-dichloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.01668 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.02396 151.2
[M+Na]+ 258.00590 159.6
[M-H]- 234.00940 156.3
[M+NH4]+ 253.05050 171.1
[M+K]+ 273.97984 157.5
[M+H-H2O]+ 218.01394 146.9
[M+HCOO]- 280.01488 165.9
[M+CH3COO]- 294.03053 193.4
[M+Na-2H]- 255.99135 153.0
[M]+ 235.01613 157.0
[M]- 235.01723 157.0
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.