CID 19676

Brn 0432853

Structural Information

Molecular Formula
C10H8BrClN2O4S
SMILES
C1=C2C(=CC(=C1S(=O)(=O)N)Cl)C(=O)N(C2=O)CCBr
InChI
InChI=1S/C10H8BrClN2O4S/c11-1-2-14-9(15)5-3-7(12)8(19(13,17)18)4-6(5)10(14)16/h3-4H,1-2H2,(H2,13,17,18)
InChIKey
VKDWQUQYRPDTTI-UHFFFAOYSA-N
Compound name
2-(2-bromoethyl)-6-chloro-1,3-dioxoisoindole-5-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.90768 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.91496 161.6
[M+Na]+ 388.89690 177.1
[M-H]- 364.90040 168.3
[M+NH4]+ 383.94150 181.1
[M+K]+ 404.87084 163.1
[M+H-H2O]+ 348.90494 163.1
[M+HCOO]- 410.90588 172.3
[M+CH3COO]- 424.92153 206.8
[M+Na-2H]- 386.88235 165.2
[M]+ 365.90713 185.5
[M]- 365.90823 185.5
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.