CID 130063416

2,7-dibromo-4-chloro-1,3-benzothiazole

Structural Information

Molecular Formula
C7H2Br2ClNS
SMILES
C1=CC(=C2C(=C1Cl)N=C(S2)Br)Br
InChI
InChI=1S/C7H2Br2ClNS/c8-3-1-2-4(10)5-6(3)12-7(9)11-5/h1-2H
InChIKey
GOIVDUSZYGFUBZ-UHFFFAOYSA-N
Compound name
2,7-dibromo-4-chloro-1,3-benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.79633 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.803606 129.4
[M+Na]+ 347.785548 146.4
[M-H]- 323.789054 137.9
[M+NH4]+ 342.830153 151.6
[M+K]+ 363.759488 129.5
[M+H-H2O]+ 307.793590 140.0
[M+HCOO]- 369.794531 140.4
[M+CH3COO]- 383.810181 146.2
[M+Na-2H]- 345.770996 137.2
[M]+ 324.79578142 168.4
[M]- 324.79687858 168.4
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

No patent data available for this compound.