CID 4652880

59777-72-9

Structural Information

Molecular Formula
C9H11NO4S
SMILES
CCOC(=O)C1=CC=CC=C1S(=O)(=O)N
InChI
InChI=1S/C9H11NO4S/c1-2-14-9(11)7-5-3-4-6-8(7)15(10,12)13/h3-6H,2H2,1H3,(H2,10,12,13)
InChIKey
CYFKZTWSLPKROH-UHFFFAOYSA-N
Compound name
ethyl 2-sulfamoylbenzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

41
Patents

229.04088 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.04816 146.7
[M+Na]+ 252.03010 154.7
[M-H]- 228.03360 150.3
[M+NH4]+ 247.07470 164.6
[M+K]+ 268.00404 152.3
[M+H-H2O]+ 212.03814 140.7
[M+HCOO]- 274.03908 165.1
[M+CH3COO]- 288.05473 186.7
[M+Na-2H]- 250.01555 150.1
[M]+ 229.04033 149.7
[M]- 229.04143 149.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe