CID 137965589

2167935-61-5

Structural Information

Molecular Formula
C7H6BrNO2S
SMILES
C1C2=C(C=C(C=C2)Br)NS1(=O)=O
InChI
InChI=1S/C7H6BrNO2S/c8-6-2-1-5-4-12(10,11)9-7(5)3-6/h1-3,9H,4H2
InChIKey
ZJNWDKIDOPAZLJ-UHFFFAOYSA-N
Compound name
6-bromo-1,3-dihydro-2,1-benzothiazole 2,2-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.93027 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.93755 135.9
[M+Na]+ 269.91949 138.4
[M+NH4]+ 264.96409 142.2
[M+K]+ 285.89343 137.5
[M-H]- 245.92299 135.3
[M+Na-2H]- 267.90494 139.1
[M]+ 246.92972 135.4
[M]- 246.93082 135.4
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.