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]+ 199.057656 137.2
[M+Na]+ 221.039598 145.1
[M-H]- 197.043104 133.6
[M+NH4]+ 216.084203 156.6
[M+K]+ 237.013538 144.4
[M+H-H2O]+ 181.047640 130.2
[M+HCOO]- 243.048581 156.2
[M+CH3COO]- 257.064231 181.7
[M+Na-2H]- 219.025046 141.6
[M]+ 198.04983142 136.7
[M]- 198.05092858 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.