CID 6432030

Methyl 4-(fluorosulfonyl)benzoate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

218.00491 Da
Monoisotopic Mass

1.9
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

No literature data available for this compound.

Patent stripe

patents stripe