CID 1992905

585564-00-7

Structural Information

Molecular Formula
C15H11Cl2FN4S
SMILES
C1=CC(=CC(=C1)F)CSC2=NN=C(N2N)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C15H11Cl2FN4S/c16-10-4-5-12(13(17)7-10)14-20-21-15(22(14)19)23-8-9-2-1-3-11(18)6-9/h1-7H,8,19H2
InChIKey
VLPJSYJCYKHWMG-UHFFFAOYSA-N
Compound name
3-(2,4-dichlorophenyl)-5-[(3-fluorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.00656 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.01384 177.9
[M+Na]+ 390.99578 190.5
[M-H]- 366.99928 182.6
[M+NH4]+ 386.04038 190.1
[M+K]+ 406.96972 181.4
[M+H-H2O]+ 351.00382 168.5
[M+HCOO]- 413.00476 184.7
[M+CH3COO]- 427.02041 188.3
[M+Na-2H]- 388.98123 176.3
[M]+ 368.00601 181.9
[M]- 368.00711 181.9
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.