CID 53442959

Dtxsid20703061

Structural Information

Molecular Formula
C10H5F5O2
SMILES
C=CC(=O)OC(C1=C(C(=C(C=C1)F)F)F)(F)F
InChI
InChI=1S/C10H5F5O2/c1-2-7(16)17-10(14,15)5-3-4-6(11)9(13)8(5)12/h2-4H,1H2
InChIKey
VHZTUYUTKIOVAD-UHFFFAOYSA-N
Compound name
[difluoro-(2,3,4-trifluorophenyl)methyl] prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

197
Patents

252.02097 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.028246 144.4
[M+Na]+ 275.010188 155.2
[M-H]- 251.013694 142.4
[M+NH4]+ 270.054793 161.9
[M+K]+ 290.984128 151.7
[M+H-H2O]+ 235.018230 135.0
[M+HCOO]- 297.019171 161.5
[M+CH3COO]- 311.034821 194.6
[M+Na-2H]- 272.995636 146.6
[M]+ 252.02042142 140.0
[M]- 252.02151858 140.0
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

patents stripe