CID 135409268

5-bromo-2-hydroxybenzaldehyde thiosemicarbazone

Structural Information

Molecular Formula
C8H8BrN3OS
SMILES
C1=CC(=C(C=C1Br)/C=N/NC(=S)N)O
InChI
InChI=1S/C8H8BrN3OS/c9-6-1-2-7(13)5(3-6)4-11-12-8(10)14/h1-4,13H,(H3,10,12,14)/b11-4+
InChIKey
AMZRNDJCSNFEHY-NYYWCZLTSA-N
Compound name
[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

6
Patents

272.95715 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.96443 141.1
[M+Na]+ 295.94637 151.5
[M-H]- 271.94987 146.9
[M+NH4]+ 290.99097 160.3
[M+K]+ 311.92031 137.7
[M+H-H2O]+ 255.95441 139.0
[M+HCOO]- 317.95535 159.7
[M+CH3COO]- 331.97100 198.0
[M+Na-2H]- 293.93182 145.9
[M]+ 272.95660 157.6
[M]- 272.95770 157.6
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.