CID 165745777

En300-1450923

Structural Information

Molecular Formula
C7H7FO5S
SMILES
COC(=O)C1=CC=C(O1)CS(=O)(=O)F
InChI
InChI=1S/C7H7FO5S/c1-12-7(9)6-3-2-5(13-6)4-14(8,10)11/h2-3H,4H2,1H3
InChIKey
ZKKAGORTHWPWOL-UHFFFAOYSA-N
Compound name
methyl 5-(fluorosulfonylmethyl)furan-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.99982 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.00710 140.5
[M+Na]+ 244.98904 150.4
[M-H]- 220.99254 144.5
[M+NH4]+ 240.03364 159.9
[M+K]+ 260.96298 150.4
[M+H-H2O]+ 204.99708 135.2
[M+HCOO]- 266.99802 158.5
[M+CH3COO]- 281.01367 181.2
[M+Na-2H]- 242.97449 144.0
[M]+ 221.99927 146.4
[M]- 222.00037 146.4
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.