CID 112722

2-benzothiazolamine, dichloro-

Structural Information

Molecular Formula
C7H4Cl2N2S
SMILES
C1=C(C=C(C2=C1SC(=N2)N)Cl)Cl
InChI
InChI=1S/C7H4Cl2N2S/c8-3-1-4(9)6-5(2-3)12-7(10)11-6/h1-2H,(H2,10,11)
InChIKey
UZGRZSHGRZYCQV-UHFFFAOYSA-N
Compound name
4,6-dichloro-1,3-benzothiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

466
Patents

217.94722 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.954496 138.9
[M+Na]+ 240.936438 152.8
[M-H]- 216.939944 142.7
[M+NH4]+ 235.981043 161.2
[M+K]+ 256.910378 146.5
[M+H-H2O]+ 200.944480 135.2
[M+HCOO]- 262.945421 150.3
[M+CH3COO]- 276.961071 153.2
[M+Na-2H]- 238.921886 142.4
[M]+ 217.94667142 144.1
[M]- 217.94776858 144.1
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