CID 3025533

Brn 5976569

Structural Information

Molecular Formula
C9H7Cl2NO5S
SMILES
C1C(OC2=C(C(=C(C=C21)S(=O)(=O)N)Cl)Cl)C(=O)O
InChI
InChI=1S/C9H7Cl2NO5S/c10-6-5(18(12,15)16)2-3-1-4(9(13)14)17-8(3)7(6)11/h2,4H,1H2,(H,13,14)(H2,12,15,16)
InChIKey
QJZVCQKORQLJLN-UHFFFAOYSA-N
Compound name
6,7-dichloro-5-sulfamoyl-2,3-dihydro-1-benzofuran-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.9422 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.94948 160.2
[M+Na]+ 333.93142 171.2
[M-H]- 309.93492 164.6
[M+NH4]+ 328.97602 177.6
[M+K]+ 349.90536 167.1
[M+H-H2O]+ 293.93946 158.5
[M+HCOO]- 355.94040 166.3
[M+CH3COO]- 369.95605 197.5
[M+Na-2H]- 331.91687 162.2
[M]+ 310.94165 166.3
[M]- 310.94275 166.3
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.