CID 16767810

926191-54-0

Structural Information

Molecular Formula
C11H14FNO4S
SMILES
CC(C)N(C)S(=O)(=O)C1=CC(=C(C=C1)F)C(=O)O
InChI
InChI=1S/C11H14FNO4S/c1-7(2)13(3)18(16,17)8-4-5-10(12)9(6-8)11(14)15/h4-7H,1-3H3,(H,14,15)
InChIKey
QMNPHSRUPNIRLX-UHFFFAOYSA-N
Compound name
2-fluoro-5-[methyl(propan-2-yl)sulfamoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
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 159.4
[M+Na]+ 298.05196 167.3
[M+NH4]+ 293.09656 164.3
[M+K]+ 314.02590 163.2
[M-H]- 274.05546 157.4
[M+Na-2H]- 296.03741 162.0
[M]+ 275.06219 160.0
[M]- 275.06329 160.0
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

patents stripe