CID 11166651

Copper 1-(3-chloro-4-fluoro-phenyl)-3-[(e)-3-pyridylmethyleneamino]thiourea

Structural Information

Molecular Formula
C13H10ClFN4S
SMILES
C1=CC(=CN=C1)/C=N/NC(=S)NC2=CC(=C(C=C2)F)Cl
InChI
InChI=1S/C13H10ClFN4S/c14-11-6-10(3-4-12(11)15)18-13(20)19-17-8-9-2-1-5-16-7-9/h1-8H,(H2,18,19,20)/b17-8+
InChIKey
LCJUEAVXZNSDDL-CAOOACKPSA-N
Compound name
1-(3-chloro-4-fluorophenyl)-3-[(E)-pyridin-3-ylmethylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

308.02988 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.03716 164.9
[M+Na]+ 331.01910 173.2
[M-H]- 307.02260 170.4
[M+NH4]+ 326.06370 179.6
[M+K]+ 346.99304 166.0
[M+H-H2O]+ 291.02714 156.0
[M+HCOO]- 353.02808 181.3
[M+CH3COO]- 367.04373 208.5
[M+Na-2H]- 329.00455 169.0
[M]+ 308.02933 165.7
[M]- 308.03043 165.7
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

No patent data available for this compound.