CID 972732

603118-18-9

Structural Information

Molecular Formula
C12H11NO5S
SMILES
C1=CC(=CC(=C1)S(=O)(=O)NCC2=CC=CO2)C(=O)O
InChI
InChI=1S/C12H11NO5S/c14-12(15)9-3-1-5-11(7-9)19(16,17)13-8-10-4-2-6-18-10/h1-7,13H,8H2,(H,14,15)
InChIKey
WGFFBVJRQFLJBY-UHFFFAOYSA-N
Compound name
3-(furan-2-ylmethylsulfamoyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

281.0358 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.04308 160.3
[M+Na]+ 304.02502 169.8
[M+NH4]+ 299.06962 166.1
[M+K]+ 319.99896 166.4
[M-H]- 280.02852 162.6
[M+Na-2H]- 302.01047 165.2
[M]+ 281.03525 162.4
[M]- 281.03635 162.4
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