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

188
Patents

252.02097 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.02825 144.4
[M+Na]+ 275.01019 155.2
[M-H]- 251.01369 142.4
[M+NH4]+ 270.05479 161.9
[M+K]+ 290.98413 151.7
[M+H-H2O]+ 235.01823 135.0
[M+HCOO]- 297.01917 161.5
[M+CH3COO]- 311.03482 194.6
[M+Na-2H]- 272.99564 146.6
[M]+ 252.02042 140.0
[M]- 252.02152 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