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]+ 276.07002 156.2
[M+Na]+ 298.05196 163.7
[M-H]- 274.05546 158.8
[M+NH4]+ 293.09656 172.4
[M+K]+ 314.02590 161.4
[M+H-H2O]+ 258.06000 149.0
[M+HCOO]- 320.06094 172.3
[M+CH3COO]- 334.07659 198.8
[M+Na-2H]- 296.03741 157.5
[M]+ 275.06219 159.6
[M]- 275.06329 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.