CID 6867737

2-(1,3-benzothiazol-2-ylthio)-n'-(5-bromo-2-fluorobenzylidene)acetohydrazide

Structural Information

Molecular Formula
C16H11BrFN3OS2
SMILES
C1=CC=C2C(=C1)N=C(S2)SCC(=O)N/N=C/C3=C(C=CC(=C3)Br)F
InChI
InChI=1S/C16H11BrFN3OS2/c17-11-5-6-12(18)10(7-11)8-19-21-15(22)9-23-16-20-13-3-1-2-4-14(13)24-16/h1-8H,9H2,(H,21,22)/b19-8+
InChIKey
FGLBAUWQYQBCSO-UFWORHAWSA-N
Compound name
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-(5-bromo-2-fluorophenyl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.9511 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.95838 169.5
[M+Na]+ 445.94032 183.3
[M-H]- 421.94382 178.7
[M+NH4]+ 440.98492 186.6
[M+K]+ 461.91426 168.3
[M+H-H2O]+ 405.94836 167.7
[M+HCOO]- 467.94930 183.7
[M+CH3COO]- 481.96495 182.9
[M+Na-2H]- 443.92577 174.5
[M]+ 422.95055 192.4
[M]- 422.95165 192.4
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.