CID 135630560

478254-81-8

Structural Information

Molecular Formula
C15H10BrClN4OS
SMILES
C1=CC(=CC(=C1)Cl)C2=NNC(=S)N2/N=C/C3=C(C=CC(=C3)Br)O
InChI
InChI=1S/C15H10BrClN4OS/c16-11-4-5-13(22)10(6-11)8-18-21-14(19-20-15(21)23)9-2-1-3-12(17)7-9/h1-8,22H,(H,20,23)/b18-8+
InChIKey
VQSMLXPNBZFOFD-QGMBQPNBSA-N
Compound name
4-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-(3-chlorophenyl)-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.94473 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.95201 177.2
[M+Na]+ 430.93395 183.2
[M+NH4]+ 425.97855 181.0
[M+K]+ 446.90789 181.2
[M-H]- 406.93745 179.9
[M+Na-2H]- 428.91940 182.3
[M]+ 407.94418 178.3
[M]- 407.94528 178.3
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.