CID 176464658

Mfcd35436007

Structural Information

Molecular Formula
C8H7FO6S
SMILES
C1=CC(=CC=C1OCC(=O)O)OS(=O)(=O)F
InChI
InChI=1S/C8H7FO6S/c9-16(12,13)15-7-3-1-6(2-4-7)14-5-8(10)11/h1-4H,5H2,(H,10,11)
InChIKey
NNCXALZMSBHICW-UHFFFAOYSA-N
Compound name
2-(4-fluorosulfonyloxyphenoxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.99474 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.00202 145.8
[M+Na]+ 272.98396 154.2
[M-H]- 248.98746 147.2
[M+NH4]+ 268.02856 162.3
[M+K]+ 288.95790 152.4
[M+H-H2O]+ 232.99200 139.2
[M+HCOO]- 294.99294 162.1
[M+CH3COO]- 309.00859 184.5
[M+Na-2H]- 270.96941 149.8
[M]+ 249.99419 150.2
[M]- 249.99529 150.2
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.