CID 1712892

2-[(3-chloropropyl)sulfanyl]-1,3-benzothiazole

Structural Information

Molecular Formula
C10H10ClNS2
SMILES
C1=CC=C2C(=C1)N=C(S2)SCCCCl
InChI
InChI=1S/C10H10ClNS2/c11-6-3-7-13-10-12-8-4-1-2-5-9(8)14-10/h1-2,4-5H,3,6-7H2
InChIKey
AZACCNGCFNXINJ-UHFFFAOYSA-N
Compound name
2-(3-chloropropylsulfanyl)-1,3-benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

242.99432 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.00160 147.9
[M+Na]+ 265.98354 162.2
[M+NH4]+ 261.02814 158.8
[M+K]+ 281.95748 151.0
[M-H]- 241.98704 151.3
[M+Na-2H]- 263.96899 154.1
[M]+ 242.99377 152.3
[M]- 242.99487 152.3
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