CID 790315

N-(4-chlorophenyl)furan-2-carboxamide

Structural Information

Molecular Formula
C11H8ClNO2
SMILES
C1=COC(=C1)C(=O)NC2=CC=C(C=C2)Cl
InChI
InChI=1S/C11H8ClNO2/c12-8-3-5-9(6-4-8)13-11(14)10-2-1-7-15-10/h1-7H,(H,13,14)
InChIKey
IAHWADGYENAEBC-UHFFFAOYSA-N
Compound name
N-(4-chlorophenyl)furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

7
Patents

221.02435 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.03163 146.2
[M+Na]+ 244.01357 155.0
[M-H]- 220.01707 153.9
[M+NH4]+ 239.05817 165.4
[M+K]+ 259.98751 151.8
[M+H-H2O]+ 204.02161 140.4
[M+HCOO]- 266.02255 167.5
[M+CH3COO]- 280.03820 186.1
[M+Na-2H]- 241.99902 152.0
[M]+ 221.02380 148.9
[M]- 221.02490 148.9
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