CID 11371145

1-(3-chloro-4-fluoro-phenyl)-3-[(e)-(4-methoxyphenyl)methyleneamino]thiourea

Structural Information

Molecular Formula
C15H13ClFN3OS
SMILES
COC1=CC=C(C=C1)/C=N/NC(=S)NC2=CC(=C(C=C2)F)Cl
InChI
InChI=1S/C15H13ClFN3OS/c1-21-12-5-2-10(3-6-12)9-18-20-15(22)19-11-4-7-14(17)13(16)8-11/h2-9H,1H3,(H2,19,20,22)/b18-9+
InChIKey
MCVSKAJJYUDKIS-GIJQJNRQSA-N
Compound name
1-(3-chloro-4-fluorophenyl)-3-[(E)-(4-methoxyphenyl)methylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

337.0452 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.05248 173.8
[M+Na]+ 360.03442 181.8
[M-H]- 336.03792 180.7
[M+NH4]+ 355.07902 188.8
[M+K]+ 376.00836 175.0
[M+H-H2O]+ 320.04246 165.4
[M+HCOO]- 382.04340 191.0
[M+CH3COO]- 396.05905 215.1
[M+Na-2H]- 358.01987 176.0
[M]+ 337.04465 176.6
[M]- 337.04575 176.6
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.