CID 7728694

3-bromobenzaldehyde n-ethylthiosemicarbazone

Structural Information

Molecular Formula
C10H12BrN3S
SMILES
CCNC(=S)N/N=C/C1=CC(=CC=C1)Br
InChI
InChI=1S/C10H12BrN3S/c1-2-12-10(15)14-13-7-8-4-3-5-9(11)6-8/h3-7H,2H2,1H3,(H2,12,14,15)/b13-7+
InChIKey
NUOMQHKGICNYNJ-NTUHNPAUSA-N
Compound name
1-[(E)-(3-bromophenyl)methylideneamino]-3-ethylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.99353 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.00081 144.7
[M+Na]+ 307.98275 145.6
[M+NH4]+ 303.02735 149.5
[M+K]+ 323.95669 144.0
[M-H]- 283.98625 146.9
[M+Na-2H]- 305.96820 148.6
[M]+ 284.99298 144.4
[M]- 284.99408 144.4
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.