CID 139468205

1796596-37-6

Structural Information

Molecular Formula
C7H5FO5S
SMILES
C1=CC(=CC=C1C(=O)O)OS(=O)(=O)F
InChI
InChI=1S/C7H5FO5S/c8-14(11,12)13-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)
InChIKey
GBSFPFHNFBAGLN-UHFFFAOYSA-N
Compound name
4-fluorosulfonyloxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

219.98418 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.99146 138.4
[M+Na]+ 242.97340 147.5
[M-H]- 218.97690 140.1
[M+NH4]+ 238.01800 156.3
[M+K]+ 258.94734 145.3
[M+H-H2O]+ 202.98144 132.3
[M+HCOO]- 264.98238 154.8
[M+CH3COO]- 278.99803 179.3
[M+Na-2H]- 240.95885 142.6
[M]+ 219.98363 141.0
[M]- 219.98473 141.0
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