CID 135445342

5-chloro-2-hydroxybenzaldehyde thiosemicarbazone

Structural Information

Molecular Formula
C8H8ClN3OS
SMILES
C1=CC(=C(C=C1Cl)/C=N/NC(=S)N)O
InChI
InChI=1S/C8H8ClN3OS/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
RZCVFQXLRNTPQD-NYYWCZLTSA-N
Compound name
[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

229.00766 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.01494 146.4
[M+Na]+ 251.99688 154.5
[M-H]- 228.00038 150.0
[M+NH4]+ 247.04148 164.9
[M+K]+ 267.97082 148.9
[M+H-H2O]+ 212.00492 141.1
[M+HCOO]- 274.00586 163.1
[M+CH3COO]- 288.02151 192.3
[M+Na-2H]- 249.98233 148.9
[M]+ 229.00711 146.6
[M]- 229.00821 146.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.