CID 146075346

2137569-56-1

Structural Information

Molecular Formula
C9H9FO5S
SMILES
COC1=C(C=C(C=C1)S(=O)(=O)F)CC(=O)O
InChI
InChI=1S/C9H9FO5S/c1-15-8-3-2-7(16(10,13)14)4-6(8)5-9(11)12/h2-4H,5H2,1H3,(H,11,12)
InChIKey
CAFSLBNPROVCBM-UHFFFAOYSA-N
Compound name
2-(5-fluorosulfonyl-2-methoxyphenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.01547 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.02275 146.6
[M+Na]+ 271.00469 155.6
[M-H]- 247.00819 148.2
[M+NH4]+ 266.04929 163.6
[M+K]+ 286.97863 153.0
[M+H-H2O]+ 231.01273 140.3
[M+HCOO]- 293.01367 162.3
[M+CH3COO]- 307.02932 186.6
[M+Na-2H]- 268.99014 149.2
[M]+ 248.01492 150.3
[M]- 248.01602 150.3
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.