CID 58470215

6-bromo-5-chloro-1,3-benzothiazol-2-amine

Structural Information

Molecular Formula
C7H4BrClN2S
SMILES
C1=C2C(=CC(=C1Cl)Br)SC(=N2)N
InChI
InChI=1S/C7H4BrClN2S/c8-3-1-6-5(2-4(3)9)11-7(10)12-6/h1-2H,(H2,10,11)
InChIKey
FWZGVHVWLYGZDF-UHFFFAOYSA-N
Compound name
6-bromo-5-chloro-1,3-benzothiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

261.8967 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.903976 135.7
[M+Na]+ 284.885918 153.0
[M-H]- 260.889424 143.0
[M+NH4]+ 279.930523 159.7
[M+K]+ 300.859858 139.0
[M+H-H2O]+ 244.893960 137.4
[M+HCOO]- 306.894901 150.5
[M+CH3COO]- 320.910551 152.6
[M+Na-2H]- 282.871366 142.2
[M]+ 261.89615142 158.6
[M]- 261.89724858 158.6
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