CID 9579375

Benzothiazol-2-yl-(2-chloro-benzylidene)-amine

Structural Information

Molecular Formula
C14H9ClN2S
SMILES
C1=CC=C(C(=C1)/C=N/C2=NC3=CC=CC=C3S2)Cl
InChI
InChI=1S/C14H9ClN2S/c15-11-6-2-1-5-10(11)9-16-14-17-12-7-3-4-8-13(12)18-14/h1-9H/b16-9+
InChIKey
ABFSZFIIFDCFBA-CXUHLZMHSA-N
Compound name
(E)-N-(1,3-benzothiazol-2-yl)-1-(2-chlorophenyl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

272.0175 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.02478 157.9
[M+Na]+ 295.00672 170.4
[M-H]- 271.01022 166.6
[M+NH4]+ 290.05132 178.0
[M+K]+ 310.98066 163.5
[M+H-H2O]+ 255.01476 151.1
[M+HCOO]- 317.01570 176.2
[M+CH3COO]- 331.03135 171.9
[M+Na-2H]- 292.99217 163.2
[M]+ 272.01695 164.2
[M]- 272.01805 164.2
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.