CID 137951791

Methyl (2z,4e)-5-(fluorosulfonyl)penta-2,4-dienoate

Structural Information

Molecular Formula
C6H7FO4S
SMILES
COC(=O)/C=C\C=C\S(=O)(=O)F
InChI
InChI=1S/C6H7FO4S/c1-11-6(8)4-2-3-5-12(7,9)10/h2-5H,1H3/b4-2-,5-3+
InChIKey
LFTQGQPVZCHJOF-VOERYJCWSA-N
Compound name
methyl (2Z,4E)-5-fluorosulfonylpenta-2,4-dienoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.00491 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.01219 135.2
[M+Na]+ 216.99413 143.9
[M-H]- 192.99763 134.6
[M+NH4]+ 212.03873 155.1
[M+K]+ 232.96807 141.7
[M+H-H2O]+ 177.00217 129.9
[M+HCOO]- 239.00311 151.9
[M+CH3COO]- 253.01876 176.3
[M+Na-2H]- 214.97958 138.1
[M]+ 194.00436 138.3
[M]- 194.00546 138.3
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.