CID 11209212

Copper 1-(3-chloro-4-fluoro-phenyl)-3-[(e)-2-thienylmethyleneamino]thiourea

Structural Information

Molecular Formula
C12H9ClFN3S2
SMILES
C1=CSC(=C1)/C=N/NC(=S)NC2=CC(=C(C=C2)F)Cl
InChI
InChI=1S/C12H9ClFN3S2/c13-10-6-8(3-4-11(10)14)16-12(18)17-15-7-9-2-1-5-19-9/h1-7H,(H2,16,17,18)/b15-7+
InChIKey
RFBFFOOIDNVCSS-VIZOYTHASA-N
Compound name
1-(3-chloro-4-fluorophenyl)-3-[(E)-thiophen-2-ylmethylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

312.99106 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.99834 165.2
[M+Na]+ 335.98028 174.1
[M-H]- 311.98378 172.1
[M+NH4]+ 331.02488 183.2
[M+K]+ 351.95422 166.3
[M+H-H2O]+ 295.98832 158.1
[M+HCOO]- 357.98926 178.1
[M+CH3COO]- 372.00491 207.0
[M+Na-2H]- 333.96573 165.6
[M]+ 312.99051 166.9
[M]- 312.99161 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

literature stripe

Patent stripe

No patent data available for this compound.