CID 135445342

20234-13-3

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 147.2
[M+Na]+ 251.99688 157.2
[M+NH4]+ 247.04148 155.0
[M+K]+ 267.97082 149.5
[M-H]- 228.00038 150.0
[M+Na-2H]- 249.98233 152.5
[M]+ 229.00711 149.8
[M]- 229.00821 149.8
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.