CID 9553367

675843-76-2

Structural Information

Molecular Formula
C21H15FN4S
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)/C=N/N3C(=NNC3=S)C4=CC=CC=C4F
InChI
InChI=1S/C21H15FN4S/c22-19-9-5-4-8-18(19)20-24-25-21(27)26(20)23-14-15-10-12-17(13-11-15)16-6-2-1-3-7-16/h1-14H,(H,25,27)/b23-14+
InChIKey
BTTHYCVDDTZOBT-OEAKJJBVSA-N
Compound name
3-(2-fluorophenyl)-4-[(E)-(4-phenylphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.10016 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.10744 187.1
[M+Na]+ 397.08938 197.8
[M-H]- 373.09288 195.6
[M+NH4]+ 392.13398 197.1
[M+K]+ 413.06332 187.6
[M+H-H2O]+ 357.09742 175.5
[M+HCOO]- 419.09836 204.1
[M+CH3COO]- 433.11401 197.1
[M+Na-2H]- 395.07483 187.7
[M]+ 374.09961 186.6
[M]- 374.10071 186.6
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.