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]+ 349.99574 160.7
[M+Na]+ 371.97768 170.0
[M-H]- 347.98118 169.5
[M+NH4]+ 367.02228 177.1
[M+K]+ 387.95162 155.5
[M+H-H2O]+ 331.98572 158.0
[M+HCOO]- 393.98666 179.8
[M+CH3COO]- 408.00231 210.7
[M+Na-2H]- 369.96313 166.5
[M]+ 348.98791 178.2
[M]- 348.98901 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.