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]+ 270.00832 158.4
[M+Na]+ 291.99026 168.0
[M-H]- 267.99376 165.5
[M+NH4]+ 287.03486 176.3
[M+K]+ 307.96420 163.2
[M+H-H2O]+ 251.99830 153.1
[M+HCOO]- 313.99924 174.1
[M+CH3COO]- 328.01489 194.7
[M+Na-2H]- 289.97571 162.0
[M]+ 269.00049 163.0
[M]- 269.00159 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.