CID 95763

2-(2-chlorophenyl)-1,3-benzothiazole

Structural Information

Molecular Formula
C13H8ClNS
SMILES
C1=CC=C(C(=C1)C2=NC3=CC=CC=C3S2)Cl
InChI
InChI=1S/C13H8ClNS/c14-10-6-2-1-5-9(10)13-15-11-7-3-4-8-12(11)16-13/h1-8H
InChIKey
KVYZTLUBKLUONP-UHFFFAOYSA-N
Compound name
2-(2-chlorophenyl)-1,3-benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

31
Patents

245.00659 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.01387 149.4
[M+Na]+ 267.99581 162.5
[M-H]- 243.99931 157.0
[M+NH4]+ 263.04041 170.4
[M+K]+ 283.96975 155.7
[M+H-H2O]+ 228.00385 143.5
[M+HCOO]- 290.00479 165.4
[M+CH3COO]- 304.02044 163.8
[M+Na-2H]- 265.98126 154.2
[M]+ 245.00604 155.1
[M]- 245.00714 155.1
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

patents stripe