CID 9589534

2-furaldehyde, 4-(p-chlorophenyl)thiosemicarbazone

Structural Information

Molecular Formula
C12H10ClN3OS
SMILES
C1=COC(=C1)/C=N/NC(=S)NC2=CC=C(C=C2)Cl
InChI
InChI=1S/C12H10ClN3OS/c13-9-3-5-10(6-4-9)15-12(18)16-14-8-11-2-1-7-17-11/h1-8H,(H2,15,16,18)/b14-8+
InChIKey
VKCFQLMMNPWNCW-RIYZIHGNSA-N
Compound name
1-(4-chlorophenyl)-3-[(E)-furan-2-ylmethylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.02332 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.03060 162.8
[M+Na]+ 302.01254 174.0
[M+NH4]+ 297.05714 171.4
[M+K]+ 317.98648 166.5
[M-H]- 278.01604 169.4
[M+Na-2H]- 299.99799 170.2
[M]+ 279.02277 166.9
[M]- 279.02387 166.9
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.