CID 77178

3622-40-0

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
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

No literature data available for this compound.

Patent stripe

patents stripe