CID 43156225

3-(chloromethyl)-n-(furan-2-ylmethyl)benzamide

Structural Information

Molecular Formula
C13H12ClNO2
SMILES
C1=CC(=CC(=C1)C(=O)NCC2=CC=CO2)CCl
InChI
InChI=1S/C13H12ClNO2/c14-8-10-3-1-4-11(7-10)13(16)15-9-12-5-2-6-17-12/h1-7H,8-9H2,(H,15,16)
InChIKey
TUVXAIHKJMJPBR-UHFFFAOYSA-N
Compound name
3-(chloromethyl)-N-(furan-2-ylmethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.05565 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.06293 154.6
[M+Na]+ 272.04487 167.8
[M+NH4]+ 267.08947 163.2
[M+K]+ 288.01881 162.3
[M-H]- 248.04837 159.9
[M+Na-2H]- 270.03032 162.3
[M]+ 249.05510 158.3
[M]- 249.05620 158.3
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

No patent data available for this compound.