CID 6878563

478255-71-9

Structural Information

Molecular Formula
C16H13FN4S
SMILES
CC1=CC(=CC=C1)C2=NNC(=S)N2/N=C/C3=CC=C(C=C3)F
InChI
InChI=1S/C16H13FN4S/c1-11-3-2-4-13(9-11)15-19-20-16(22)21(15)18-10-12-5-7-14(17)8-6-12/h2-10H,1H3,(H,20,22)/b18-10+
InChIKey
WVIWOLJCOCCHBM-VCHYOVAHSA-N
Compound name
4-[(E)-(4-fluorophenyl)methylideneamino]-3-(3-methylphenyl)-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.0845 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.09178 170.7
[M+Na]+ 335.07372 185.2
[M+NH4]+ 330.11832 177.8
[M+K]+ 351.04766 176.7
[M-H]- 311.07722 174.7
[M+Na-2H]- 333.05917 179.6
[M]+ 312.08395 174.3
[M]- 312.08505 174.3
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.