CID 6878553

478254-12-5

Structural Information

Molecular Formula
C15H10BrClN4S
SMILES
C1=CC=C(C(=C1)/C=N/N2C(=NNC2=S)C3=CC=CC=C3Cl)Br
InChI
InChI=1S/C15H10BrClN4S/c16-12-7-3-1-5-10(12)9-18-21-14(19-20-15(21)22)11-6-2-4-8-13(11)17/h1-9H,(H,20,22)/b18-9+
InChIKey
DTEZEHPRWZOWFF-GIJQJNRQSA-N
Compound name
4-[(E)-(2-bromophenyl)methylideneamino]-3-(2-chlorophenyl)-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.9498 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.95708 172.7
[M+Na]+ 414.93902 179.3
[M+NH4]+ 409.98362 177.3
[M+K]+ 430.91296 176.5
[M-H]- 390.94252 176.2
[M+Na-2H]- 412.92447 179.0
[M]+ 391.94925 174.2
[M]- 391.95035 174.2
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.