CID 4114764

Methyl 2-(fluorosulfonyl)benzoate

Structural Information

Molecular Formula
C8H7FO4S
SMILES
COC(=O)C1=CC=CC=C1S(=O)(=O)F
InChI
InChI=1S/C8H7FO4S/c1-13-8(10)6-4-2-3-5-7(6)14(9,11)12/h2-5H,1H3
InChIKey
LLQSKDZICCVCEB-UHFFFAOYSA-N
Compound name
methyl 2-fluorosulfonylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

218.00491 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.01219 139.5
[M+Na]+ 240.99413 149.0
[M-H]- 216.99763 142.6
[M+NH4]+ 236.03873 158.5
[M+K]+ 256.96807 147.0
[M+H-H2O]+ 201.00217 133.3
[M+HCOO]- 263.00311 157.0
[M+CH3COO]- 277.01876 182.1
[M+Na-2H]- 238.97958 143.5
[M]+ 218.00436 142.9
[M]- 218.00546 142.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe