CID 135630553

577695-15-9

Structural Information

Molecular Formula
C15H9Br2FN4OS
SMILES
C1=CC(=CC=C1C2=NNC(=S)N2/N=C/C3=C(C(=CC(=C3)Br)Br)O)F
InChI
InChI=1S/C15H9Br2FN4OS/c16-10-5-9(13(23)12(17)6-10)7-19-22-14(20-21-15(22)24)8-1-3-11(18)4-2-8/h1-7,23H,(H,21,24)/b19-7+
InChIKey
DRCOJHGLZFTRKJ-FBCYGCLPSA-N
Compound name
4-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3-(4-fluorophenyl)-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

469.8848 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.89208 160.4
[M+Na]+ 492.87402 173.7
[M-H]- 468.87752 168.4
[M+NH4]+ 487.91862 173.0
[M+K]+ 508.84796 155.3
[M+H-H2O]+ 452.88206 167.2
[M+HCOO]- 514.88300 171.3
[M+CH3COO]- 528.89865 173.0
[M+Na-2H]- 490.85947 163.7
[M]+ 469.88425 195.0
[M]- 469.88535 195.0
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.