CID 121552422

Methyl 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 146.6
[M+Na]+ 221.03960 152.7
[M+NH4]+ 216.08420 150.3
[M+K]+ 237.01354 148.9
[M-H]- 197.04310 139.8
[M+Na-2H]- 219.02505 146.6
[M]+ 198.04983 144.9
[M]- 198.05093 144.9
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.