CID 794595

1576-46-1

Structural Information

Molecular Formula
C11H15NO4S
SMILES
CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)O
InChI
InChI=1S/C11H15NO4S/c1-3-12(4-2)17(15,16)10-7-5-6-9(8-10)11(13)14/h5-8H,3-4H2,1-2H3,(H,13,14)
InChIKey
BIXIGFOEUQAXDL-UHFFFAOYSA-N
Compound name
3-(diethylsulfamoyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

52
Patents

257.07217 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.07945 154.6
[M+Na]+ 280.06139 161.3
[M-H]- 256.06489 158.4
[M+NH4]+ 275.10599 171.5
[M+K]+ 296.03533 159.5
[M+H-H2O]+ 240.06943 148.3
[M+HCOO]- 302.07037 171.9
[M+CH3COO]- 316.08602 194.9
[M+Na-2H]- 278.04684 157.1
[M]+ 257.07162 158.9
[M]- 257.07272 158.9
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