CID 121552422

Methyl (2e)-4-(2,2,2-trifluoroethoxy)but-2-enoate

Structural Information

Molecular Formula
C7H9F3O3
SMILES
COC(=O)/C=C/COCC(F)(F)F
InChI
InChI=1S/C7H9F3O3/c1-12-6(11)3-2-4-13-5-7(8,9)10/h2-3H,4-5H2,1H3/b3-2+
InChIKey
NPHAQDSRNXIXHZ-NSCUHMNNSA-N
Compound name
methyl (E)-4-(2,2,2-trifluoroethoxy)but-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.05038 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.05766 137.2
[M+Na]+ 221.03960 145.1
[M-H]- 197.04310 133.6
[M+NH4]+ 216.08420 156.6
[M+K]+ 237.01354 144.4
[M+H-H2O]+ 181.04764 130.2
[M+HCOO]- 243.04858 156.2
[M+CH3COO]- 257.06423 181.7
[M+Na-2H]- 219.02505 141.6
[M]+ 198.04983 136.7
[M]- 198.05093 136.7
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.