CID 5339871

2,4-dichlorobenzaldehyde 2-benzothiazolylhydrazone

Structural Information

Molecular Formula
C14H9Cl2N3S
SMILES
C1=CC=C2C(=C1)N=C(S2)N/N=C/C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C14H9Cl2N3S/c15-10-6-5-9(11(16)7-10)8-17-19-14-18-12-3-1-2-4-13(12)20-14/h1-8H,(H,18,19)/b17-8+
InChIKey
YUPRYQYVCWVVLK-CAOOACKPSA-N
Compound name
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-1,3-benzothiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

320.9894 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.99668 169.0
[M+Na]+ 343.97862 181.4
[M-H]- 319.98212 177.0
[M+NH4]+ 339.02322 187.3
[M+K]+ 359.95256 173.5
[M+H-H2O]+ 303.98666 162.5
[M+HCOO]- 365.98760 182.9
[M+CH3COO]- 380.00325 181.7
[M+Na-2H]- 341.96407 173.4
[M]+ 320.98885 176.2
[M]- 320.98995 176.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.