CID 165745777

Methyl 5-[(fluorosulfonyl)methyl]furan-2-carboxylate

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]+ 223.007096 140.5
[M+Na]+ 244.989038 150.4
[M-H]- 220.992544 144.5
[M+NH4]+ 240.033643 159.9
[M+K]+ 260.962978 150.4
[M+H-H2O]+ 204.997080 135.2
[M+HCOO]- 266.998021 158.5
[M+CH3COO]- 281.013671 181.2
[M+Na-2H]- 242.974486 144.0
[M]+ 221.99927142 146.4
[M]- 222.00036858 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.