CID 726376

N-[(4-chlorophenyl)carbamothioyl]furan-2-carboxamide

Structural Information

Molecular Formula
C12H9ClN2O2S
SMILES
C1=COC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)Cl
InChI
InChI=1S/C12H9ClN2O2S/c13-8-3-5-9(6-4-8)14-12(18)15-11(16)10-2-1-7-17-10/h1-7H,(H2,14,15,16,18)
InChIKey
PDPPVIICILSBPL-UHFFFAOYSA-N
Compound name
N-[(4-chlorophenyl)carbamothioyl]furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

280.00732 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.01460 161.9
[M+Na]+ 302.99654 173.0
[M+NH4]+ 298.04114 169.9
[M+K]+ 318.97048 166.7
[M-H]- 279.00004 167.1
[M+Na-2H]- 300.98199 168.2
[M]+ 280.00677 165.4
[M]- 280.00787 165.4
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

patents stripe