CID 47003239

2-(1,3-dihydro-2-benzofuran-5-sulfonamido)acetic acid

Structural Information

Molecular Formula
C10H11NO5S
SMILES
C1C2=C(CO1)C=C(C=C2)S(=O)(=O)NCC(=O)O
InChI
InChI=1S/C10H11NO5S/c12-10(13)4-11-17(14,15)9-2-1-7-5-16-6-8(7)3-9/h1-3,11H,4-6H2,(H,12,13)
InChIKey
HSFRMYSRFFROKC-UHFFFAOYSA-N
Compound name
2-(1,3-dihydro-2-benzofuran-5-ylsulfonylamino)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.0358 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.04308 151.9
[M+Na]+ 280.02502 159.3
[M-H]- 256.02852 155.8
[M+NH4]+ 275.06962 169.5
[M+K]+ 295.99896 157.9
[M+H-H2O]+ 240.03306 147.2
[M+HCOO]- 302.03400 167.9
[M+CH3COO]- 316.04965 188.8
[M+Na-2H]- 278.01047 157.2
[M]+ 257.03525 155.1
[M]- 257.03635 155.1
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

No patent data available for this compound.