CID 53194

75228-86-3

Structural Information

Molecular Formula
C10H13Cl2NO2
SMILES
CC(C)N(CC1=CC=C(O1)Cl)C(=O)CCl
InChI
InChI=1S/C10H13Cl2NO2/c1-7(2)13(10(14)5-11)6-8-3-4-9(12)15-8/h3-4,7H,5-6H2,1-2H3
InChIKey
NNUBGEVFECRUSF-UHFFFAOYSA-N
Compound name
2-chloro-N-[(5-chlorofuran-2-yl)methyl]-N-propan-2-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.03233 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.03961 156.0
[M+Na]+ 272.02155 164.0
[M-H]- 248.02505 161.0
[M+NH4]+ 267.06615 175.4
[M+K]+ 287.99549 161.7
[M+H-H2O]+ 232.02959 151.5
[M+HCOO]- 294.03053 170.4
[M+CH3COO]- 308.04618 196.3
[M+Na-2H]- 270.00700 157.2
[M]+ 249.03178 162.2
[M]- 249.03288 162.2
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.