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]+ 262.90398 135.7
[M+Na]+ 284.88592 153.0
[M-H]- 260.88942 143.0
[M+NH4]+ 279.93052 159.7
[M+K]+ 300.85986 139.0
[M+H-H2O]+ 244.89396 137.4
[M+HCOO]- 306.89490 150.5
[M+CH3COO]- 320.91055 152.6
[M+Na-2H]- 282.87137 142.2
[M]+ 261.89615 158.6
[M]- 261.89725 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