CID 43140890

4-fluoro-3-(1,2,4-oxadiazol-3-ylmethanesulfonyl)benzoic acid

Structural Information

Molecular Formula
C10H7FN2O5S
SMILES
C1=CC(=C(C=C1C(=O)O)S(=O)(=O)CC2=NOC=N2)F
InChI
InChI=1S/C10H7FN2O5S/c11-7-2-1-6(10(14)15)3-8(7)19(16,17)4-9-12-5-18-13-9/h1-3,5H,4H2,(H,14,15)
InChIKey
ZVVBTIZMWYPPKR-UHFFFAOYSA-N
Compound name
4-fluoro-3-(1,2,4-oxadiazol-3-ylmethylsulfonyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.00598 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.01326 160.3
[M+Na]+ 308.99520 170.3
[M+NH4]+ 304.03980 164.4
[M+K]+ 324.96914 167.7
[M-H]- 284.99870 159.2
[M+Na-2H]- 306.98065 163.7
[M]+ 286.00543 161.5
[M]- 286.00653 161.5
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.