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 155.7
[M+Na]+ 272.04487 163.6
[M-H]- 248.04837 163.1
[M+NH4]+ 267.08947 173.8
[M+K]+ 288.01881 160.0
[M+H-H2O]+ 232.05291 149.5
[M+HCOO]- 294.05385 176.3
[M+CH3COO]- 308.06950 192.0
[M+Na-2H]- 270.03032 160.4
[M]+ 249.05510 159.1
[M]- 249.05620 159.1
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.