CID 687084

2,4-dichloro-n-(furan-2-ylmethyl)benzamide

Structural Information

Molecular Formula
C12H9Cl2NO2
SMILES
C1=COC(=C1)CNC(=O)C2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C12H9Cl2NO2/c13-8-3-4-10(11(14)6-8)12(16)15-7-9-2-1-5-17-9/h1-6H,7H2,(H,15,16)
InChIKey
VBEWTNMSLDIDGT-UHFFFAOYSA-N
Compound name
2,4-dichloro-N-(furan-2-ylmethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

269.00104 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.008316 158.4
[M+Na]+ 291.990258 168.0
[M-H]- 267.993764 165.5
[M+NH4]+ 287.034863 176.3
[M+K]+ 307.964198 163.2
[M+H-H2O]+ 251.998300 153.1
[M+HCOO]- 313.999241 174.1
[M+CH3COO]- 328.014891 194.7
[M+Na-2H]- 289.975706 162.0
[M]+ 269.00049142 163.0
[M]- 269.00158858 163.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.