CID 6888914

674813-21-9

Structural Information

Molecular Formula
C17H12ClFN4S
SMILES
C1=CC=C(C=C1)/C=C(/C=N/N2C(=NNC2=S)C3=CC=C(C=C3)F)\Cl
InChI
InChI=1S/C17H12ClFN4S/c18-14(10-12-4-2-1-3-5-12)11-20-23-16(21-22-17(23)24)13-6-8-15(19)9-7-13/h1-11H,(H,22,24)/b14-10-,20-11+
InChIKey
CUZYAGCPOFKFQZ-MCXKGUMDSA-N
Compound name
4-[(E)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-3-(4-fluorophenyl)-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.04553 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.05281 179.1
[M+Na]+ 381.03475 193.4
[M+NH4]+ 376.07935 185.8
[M+K]+ 397.00869 184.4
[M-H]- 357.03825 182.5
[M+Na-2H]- 379.02020 187.6
[M]+ 358.04498 182.6
[M]- 358.04608 182.6
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.