CID 372292

Nsc647351

Structural Information

Molecular Formula
C10H9BrO2S2
SMILES
C1CSC(S1)C2=CC3=C(C=C2Br)OCO3
InChI
InChI=1S/C10H9BrO2S2/c11-7-4-9-8(12-5-13-9)3-6(7)10-14-1-2-15-10/h3-4,10H,1-2,5H2
InChIKey
SRCWKQMODRURGL-UHFFFAOYSA-N
Compound name
5-bromo-6-(1,3-dithiolan-2-yl)-1,3-benzodioxole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.92273 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.93001 148.0
[M+Na]+ 326.91195 162.2
[M-H]- 302.91545 160.1
[M+NH4]+ 321.95655 170.6
[M+K]+ 342.88589 153.6
[M+H-H2O]+ 286.91999 152.2
[M+HCOO]- 348.92093 159.1
[M+CH3COO]- 362.93658 164.0
[M+Na-2H]- 324.89740 151.2
[M]+ 303.92218 169.3
[M]- 303.92328 169.3
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.