CID 137942234

2-amino-3-(2,5-dibromothiophene-3-sulfonamido)propanoic acid

Structural Information

Molecular Formula
C7H8Br2N2O4S2
SMILES
C1=C(SC(=C1S(=O)(=O)NCC(C(=O)O)N)Br)Br
InChI
InChI=1S/C7H8Br2N2O4S2/c8-5-1-4(6(9)16-5)17(14,15)11-2-3(10)7(12)13/h1,3,11H,2,10H2,(H,12,13)
InChIKey
ODPCKGIMHRNJPV-UHFFFAOYSA-N
Compound name
2-amino-3-[(2,5-dibromothiophen-3-yl)sulfonylamino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

405.82922 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.83650 143.2
[M+Na]+ 428.81844 153.4
[M-H]- 404.82194 148.0
[M+NH4]+ 423.86304 159.1
[M+K]+ 444.79238 134.9
[M+H-H2O]+ 388.82648 149.0
[M+HCOO]- 450.82742 150.1
[M+CH3COO]- 464.84307 214.5
[M+Na-2H]- 426.80389 146.7
[M]+ 405.82867 176.5
[M]- 405.82977 176.5
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

patents stripe