CID 72218681

4-(fluorosulfonyl)-3-methoxybenzoic acid

Structural Information

Molecular Formula
C8H7FO5S
SMILES
COC1=C(C=CC(=C1)C(=O)O)S(=O)(=O)F
InChI
InChI=1S/C8H7FO5S/c1-14-6-4-5(8(10)11)2-3-7(6)15(9,12)13/h2-4H,1H3,(H,10,11)
InChIKey
MMGFERAHRYVWRR-UHFFFAOYSA-N
Compound name
4-fluorosulfonyl-3-methoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.99982 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.00710 142.0
[M+Na]+ 256.98904 151.4
[M-H]- 232.99254 143.8
[M+NH4]+ 252.03364 159.6
[M+K]+ 272.96298 149.1
[M+H-H2O]+ 216.99708 135.9
[M+HCOO]- 278.99802 158.0
[M+CH3COO]- 293.01367 183.6
[M+Na-2H]- 254.97449 145.1
[M]+ 233.99927 145.4
[M]- 234.00037 145.4
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.