CID 2049865

4-bromo-2-chloro-1,3-benzothiazole

Structural Information

Molecular Formula
C7H3BrClNS
SMILES
C1=CC2=C(C(=C1)Br)N=C(S2)Cl
InChI
InChI=1S/C7H3BrClNS/c8-4-2-1-3-5-6(4)10-7(9)11-5/h1-3H
InChIKey
HWPFBBVUHHRYMR-UHFFFAOYSA-N
Compound name
4-bromo-2-chloro-1,3-benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

46
Patents

246.8858 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.89308 131.4
[M+Na]+ 269.87502 149.0
[M-H]- 245.87852 139.1
[M+NH4]+ 264.91962 156.5
[M+K]+ 285.84896 136.0
[M+H-H2O]+ 229.88306 133.8
[M+HCOO]- 291.88400 146.1
[M+CH3COO]- 305.89965 149.0
[M+Na-2H]- 267.86047 139.1
[M]+ 246.88525 155.7
[M]- 246.88635 155.7
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