CID 720138

4-chloro-n-furan-2-ylmethyl-benzamide

Structural Information

Molecular Formula
C12H10ClNO2
SMILES
C1=COC(=C1)CNC(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C12H10ClNO2/c13-10-5-3-9(4-6-10)12(15)14-8-11-2-1-7-16-11/h1-7H,8H2,(H,14,15)
InChIKey
SKMGYVCLHQFMCA-UHFFFAOYSA-N
Compound name
4-chloro-N-(furan-2-ylmethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

235.04001 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.047286 151.0
[M+Na]+ 258.029228 159.3
[M-H]- 234.032734 158.5
[M+NH4]+ 253.073833 169.6
[M+K]+ 274.003168 155.9
[M+H-H2O]+ 218.037270 144.9
[M+HCOO]- 280.038211 171.9
[M+CH3COO]- 294.053861 189.1
[M+Na-2H]- 256.014676 156.2
[M]+ 235.03946142 154.0
[M]- 235.04055858 154.0
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

patents stripe