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]+ 325.80361 129.4
[M+Na]+ 347.78555 146.4
[M-H]- 323.78905 137.9
[M+NH4]+ 342.83015 151.6
[M+K]+ 363.75949 129.5
[M+H-H2O]+ 307.79359 140.0
[M+HCOO]- 369.79453 140.4
[M+CH3COO]- 383.81018 146.2
[M+Na-2H]- 345.77100 137.2
[M]+ 324.79578 168.4
[M]- 324.79688 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.