CID 11021668

Ethyl 3-(trifluoromethanesulfonyloxy)but-2-enoate

Structural Information

Molecular Formula
C7H9F3O5S
SMILES
CCOC(=O)/C=C(\C)/OS(=O)(=O)C(F)(F)F
InChI
InChI=1S/C7H9F3O5S/c1-3-14-6(11)4-5(2)15-16(12,13)7(8,9)10/h4H,3H2,1-2H3/b5-4+
InChIKey
UZGNUZUZYRKGHA-SNAWJCMRSA-N
Compound name
ethyl (E)-3-(trifluoromethylsulfonyloxy)but-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

262.01227 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.019546 147.4
[M+Na]+ 285.001488 155.1
[M-H]- 261.004994 143.9
[M+NH4]+ 280.046093 164.2
[M+K]+ 300.975428 154.0
[M+H-H2O]+ 245.009530 140.2
[M+HCOO]- 307.010471 159.2
[M+CH3COO]- 321.026121 189.0
[M+Na-2H]- 282.986936 149.0
[M]+ 262.01172142 149.3
[M]- 262.01281858 149.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe