CID 721017

5-benzothiazol-2-yl-2-chloro-phenylamine

Structural Information

Molecular Formula
C13H9ClN2S
SMILES
C1=CC=C2C(=C1)N=C(S2)C3=CC(=C(C=C3)Cl)N
InChI
InChI=1S/C13H9ClN2S/c14-9-6-5-8(7-10(9)15)13-16-11-3-1-2-4-12(11)17-13/h1-7H,15H2
InChIKey
IRRAMJXBKRGJME-UHFFFAOYSA-N
Compound name
5-(1,3-benzothiazol-2-yl)-2-chloroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

260.0175 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.02478 153.3
[M+Na]+ 283.00672 170.1
[M+NH4]+ 278.05132 164.3
[M+K]+ 298.98066 160.5
[M-H]- 259.01022 159.5
[M+Na-2H]- 280.99217 163.1
[M]+ 260.01695 158.5
[M]- 260.01805 158.5
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

patents stripe