CID 135679544

5-bromo-2-hydroxybenzaldehyde n-(3-chlorophenyl)thiosemicarbazone

Structural Information

Molecular Formula
C14H11BrClN3OS
SMILES
C1=CC(=CC(=C1)Cl)NC(=S)N/N=C/C2=C(C=CC(=C2)Br)O
InChI
InChI=1S/C14H11BrClN3OS/c15-10-4-5-13(20)9(6-10)8-17-19-14(21)18-12-3-1-2-11(16)7-12/h1-8,20H,(H2,18,19,21)/b17-8+
InChIKey
WQNMEXBLAGODOM-CAOOACKPSA-N
Compound name
1-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-(3-chlorophenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.94946 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.95674 166.9
[M+Na]+ 405.93868 177.9
[M-H]- 381.94218 176.0
[M+NH4]+ 400.98328 183.2
[M+K]+ 421.91262 161.8
[M+H-H2O]+ 365.94672 165.3
[M+HCOO]- 427.94766 181.7
[M+CH3COO]- 441.96331 215.2
[M+Na-2H]- 403.92413 171.7
[M]+ 382.94891 186.8
[M]- 382.95001 186.8
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.