CID 20251269

824403-26-1

Structural Information

Molecular Formula
C7H3BrClNS
SMILES
C1=CC2=C(C=C1Br)N=C(S2)Cl
InChI
InChI=1S/C7H3BrClNS/c8-4-1-2-6-5(3-4)10-7(9)11-6/h1-3H
InChIKey
CQHUAYKIQCBOKY-UHFFFAOYSA-N
Compound name
5-bromo-2-chloro-1,3-benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

102
Patents

246.8858 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.893076 131.4
[M+Na]+ 269.875018 149.0
[M-H]- 245.878524 139.1
[M+NH4]+ 264.919623 156.5
[M+K]+ 285.848958 136.0
[M+H-H2O]+ 229.883060 133.8
[M+HCOO]- 291.884001 146.1
[M+CH3COO]- 305.899651 149.0
[M+Na-2H]- 267.860466 139.1
[M]+ 246.88525142 155.7
[M]- 246.88634858 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

No literature data available for this compound.

Patent stripe

patents stripe