CID 122236195

Methyl 4-[(fluorosulfonyl)methyl]benzoate

Structural Information

Molecular Formula
C9H9FO4S
SMILES
COC(=O)C1=CC=C(C=C1)CS(=O)(=O)F
InChI
InChI=1S/C9H9FO4S/c1-14-9(11)8-4-2-7(3-5-8)6-15(10,12)13/h2-5H,6H2,1H3
InChIKey
HRGYPBNOTSTBPX-UHFFFAOYSA-N
Compound name
methyl 4-(fluorosulfonylmethyl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.02055 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.027826 144.1
[M+Na]+ 255.009768 153.1
[M-H]- 231.013274 147.1
[M+NH4]+ 250.054373 162.5
[M+K]+ 270.983708 150.9
[M+H-H2O]+ 215.017810 137.7
[M+HCOO]- 277.018751 161.2
[M+CH3COO]- 291.034401 185.1
[M+Na-2H]- 252.995216 147.6
[M]+ 232.02000142 147.9
[M]- 232.02109858 147.9
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.