CID 135560363

5-bromo-2-hydroxybenzaldehyde n-phenylthiosemicarbazone

Structural Information

Molecular Formula
C14H12BrN3OS
SMILES
C1=CC=C(C=C1)NC(=S)N/N=C/C2=C(C=CC(=C2)Br)O
InChI
InChI=1S/C14H12BrN3OS/c15-11-6-7-13(19)10(8-11)9-16-18-14(20)17-12-4-2-1-3-5-12/h1-9,19H,(H2,17,18,20)/b16-9+
InChIKey
VIJHSSPHLZACQD-CXUHLZMHSA-N
Compound name
1-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-phenylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.98846 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.995736 160.7
[M+Na]+ 371.977678 170.0
[M-H]- 347.981184 169.5
[M+NH4]+ 367.022283 177.1
[M+K]+ 387.951618 155.5
[M+H-H2O]+ 331.985720 158.0
[M+HCOO]- 393.986661 179.8
[M+CH3COO]- 408.002311 210.7
[M+Na-2H]- 369.963126 166.5
[M]+ 348.98791142 178.2
[M]- 348.98900858 178.2
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.