CID 155389345

2-amino-3-(4-fluorothiophene-3-sulfonamido)propanoic acid hydrochloride

Structural Information

Molecular Formula
C7H9FN2O4S2
SMILES
C1=C(C(=CS1)S(=O)(=O)NCC(C(=O)O)N)F
InChI
InChI=1S/C7H9FN2O4S2/c8-4-2-15-3-6(4)16(13,14)10-1-5(9)7(11)12/h2-3,5,10H,1,9H2,(H,11,12)
InChIKey
QSIDHPGRYANUJY-UHFFFAOYSA-N
Compound name
2-amino-3-[(4-fluorothiophen-3-yl)sulfonylamino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

267.99878 Da
Monoisotopic Mass

-2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.00606 153.3
[M+Na]+ 290.98800 159.7
[M-H]- 266.99150 153.3
[M+NH4]+ 286.03260 169.7
[M+K]+ 306.96194 155.5
[M+H-H2O]+ 250.99604 146.5
[M+HCOO]- 312.99698 164.2
[M+CH3COO]- 327.01263 192.4
[M+Na-2H]- 288.97345 152.8
[M]+ 267.99823 152.7
[M]- 267.99933 152.7
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