CID 204226

Benzothiazole, 2-(2,6-dichlorophenyl)-

Structural Information

Molecular Formula
C13H7Cl2NS
SMILES
C1=CC=C2C(=C1)N=C(S2)C3=C(C=CC=C3Cl)Cl
InChI
InChI=1S/C13H7Cl2NS/c14-8-4-3-5-9(15)12(8)13-16-10-6-1-2-7-11(10)17-13/h1-7H
InChIKey
JMMSLOVLIMWXDU-UHFFFAOYSA-N
Compound name
2-(2,6-dichlorophenyl)-1,3-benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.96762 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.97490 156.2
[M+Na]+ 301.95684 170.2
[M-H]- 277.96034 163.3
[M+NH4]+ 297.00144 176.4
[M+K]+ 317.93078 162.6
[M+H-H2O]+ 261.96488 150.9
[M+HCOO]- 323.96582 166.9
[M+CH3COO]- 337.98147 169.9
[M+Na-2H]- 299.94229 159.5
[M]+ 278.96707 163.2
[M]- 278.96817 163.2
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