CID 59739027

Methyl 3-(fluorosulfonyl)propanoate

Structural Information

Molecular Formula
C4H7FO4S
SMILES
COC(=O)CCS(=O)(=O)F
InChI
InChI=1S/C4H7FO4S/c1-9-4(6)2-3-10(5,7)8/h2-3H2,1H3
InChIKey
ALGLDWYOBOXXKT-UHFFFAOYSA-N
Compound name
methyl 3-fluorosulfonylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

170.00491 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.012186 128.4
[M+Na]+ 192.994128 137.1
[M-H]- 168.997634 128.0
[M+NH4]+ 188.038733 149.2
[M+K]+ 208.968068 136.6
[M+H-H2O]+ 153.002170 123.1
[M+HCOO]- 215.003111 145.3
[M+CH3COO]- 229.018761 173.5
[M+Na-2H]- 190.979576 132.1
[M]+ 170.00436142 132.2
[M]- 170.00545858 132.2
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