CID 692480

3-(diethylsulfamoyl)-4-fluorobenzoic acid

Structural Information

Molecular Formula
C11H14FNO4S
SMILES
CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)O)F
InChI
InChI=1S/C11H14FNO4S/c1-3-13(4-2)18(16,17)10-7-8(11(14)15)5-6-9(10)12/h5-7H,3-4H2,1-2H3,(H,14,15)
InChIKey
HXKCWWBXEMEMND-UHFFFAOYSA-N
Compound name
3-(diethylsulfamoyl)-4-fluorobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.06274 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.070016 156.2
[M+Na]+ 298.051958 163.7
[M-H]- 274.055464 158.8
[M+NH4]+ 293.096563 172.4
[M+K]+ 314.025898 161.4
[M+H-H2O]+ 258.060000 149.0
[M+HCOO]- 320.060941 172.3
[M+CH3COO]- 334.076591 198.8
[M+Na-2H]- 296.037406 157.5
[M]+ 275.06219142 159.6
[M]- 275.06328858 159.6
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

No patent data available for this compound.