CID 9160477

3-(tert-butylsulfamoyl)-4-fluorobenzoic acid

Structural Information

Molecular Formula
C11H14FNO4S
SMILES
CC(C)(C)NS(=O)(=O)C1=C(C=CC(=C1)C(=O)O)F
InChI
InChI=1S/C11H14FNO4S/c1-11(2,3)13-18(16,17)9-6-7(10(14)15)4-5-8(9)12/h4-6,13H,1-3H3,(H,14,15)
InChIKey
IVIQFJGPVKZBKX-UHFFFAOYSA-N
Compound name
3-(tert-butylsulfamoyl)-4-fluorobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

275.06274 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.07002 156.8
[M+Na]+ 298.05196 164.5
[M-H]- 274.05546 158.1
[M+NH4]+ 293.09656 172.5
[M+K]+ 314.02590 161.4
[M+H-H2O]+ 258.06000 150.4
[M+HCOO]- 320.06094 170.9
[M+CH3COO]- 334.07659 195.3
[M+Na-2H]- 296.03741 159.8
[M]+ 275.06219 158.3
[M]- 275.06329 158.3
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

No patent data available for this compound.