CID 139026750

2-amino-3-(2,5-dichlorothiophene-3-sulfonamido)propanoic acid hydrochloride

Structural Information

Molecular Formula
C7H8Cl2N2O4S2
SMILES
C1=C(SC(=C1S(=O)(=O)NCC(C(=O)O)N)Cl)Cl
InChI
InChI=1S/C7H8Cl2N2O4S2/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
YXHZFBGSHADASY-UHFFFAOYSA-N
Compound name
2-amino-3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

317.93027 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.93755 162.6
[M+Na]+ 340.91949 170.3
[M-H]- 316.92299 164.6
[M+NH4]+ 335.96409 178.8
[M+K]+ 356.89343 164.1
[M+H-H2O]+ 300.92753 159.7
[M+HCOO]- 362.92847 165.5
[M+CH3COO]- 376.94412 199.1
[M+Na-2H]- 338.90494 161.3
[M]+ 317.92972 166.1
[M]- 317.93082 166.1
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