CID 3020651

85391-66-8

Structural Information

Molecular Formula
C13H6Cl3NOS
SMILES
C1=CC2=C(C(=C1)Cl)N=C(S2)OC3=C(C=CC=C3Cl)Cl
InChI
InChI=1S/C13H6Cl3NOS/c14-7-3-2-6-10-11(7)17-13(19-10)18-12-8(15)4-1-5-9(12)16/h1-6H
InChIKey
AWYLGYOINMTQQQ-UHFFFAOYSA-N
Compound name
4-chloro-2-(2,6-dichlorophenoxy)-1,3-benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.92355 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.930826 165.7
[M+Na]+ 351.912768 179.8
[M-H]- 327.916274 171.8
[M+NH4]+ 346.957373 183.9
[M+K]+ 367.886708 172.6
[M+H-H2O]+ 311.920810 160.9
[M+HCOO]- 373.921751 171.1
[M+CH3COO]- 387.937401 178.2
[M+Na-2H]- 349.898216 167.3
[M]+ 328.92300142 174.4
[M]- 328.92409858 174.4
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

No patent data available for this compound.