CID 7575244

3-bromobenzaldehyde n-phenylthiosemicarbazone

Structural Information

Molecular Formula
C14H12BrN3S
SMILES
C1=CC=C(C=C1)NC(=S)N/N=C/C2=CC(=CC=C2)Br
InChI
InChI=1S/C14H12BrN3S/c15-12-6-4-5-11(9-12)10-16-18-14(19)17-13-7-2-1-3-8-13/h1-10H,(H2,17,18,19)/b16-10+
InChIKey
ZEIIRMLUJIVNPA-MHWRWJLKSA-N
Compound name
1-[(E)-(3-bromophenyl)methylideneamino]-3-phenylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.99353 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.00081 153.9
[M+Na]+ 355.98275 156.8
[M+NH4]+ 351.02735 159.3
[M+K]+ 371.95669 154.0
[M-H]- 331.98625 158.5
[M+Na-2H]- 353.96820 160.8
[M]+ 332.99298 154.8
[M]- 332.99408 154.8
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.