CID 21701052

Dtxsid90896611

Structural Information

Molecular Formula
C8H5F9O2
SMILES
CC(=C)C(=O)OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C8H5F9O2/c1-3(2)4(18)19-5(6(9,10)11,7(12,13)14)8(15,16)17/h1H2,2H3
InChIKey
JXVINEGBEPHVPO-UHFFFAOYSA-N
Compound name
[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl] 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

169
Patents

304.0146 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.02188 152.2
[M+Na]+ 327.00382 161.1
[M-H]- 303.00732 142.0
[M+NH4]+ 322.04842 166.7
[M+K]+ 342.97776 159.2
[M+H-H2O]+ 287.01186 141.7
[M+HCOO]- 349.01280 158.6
[M+CH3COO]- 363.02845 202.0
[M+Na-2H]- 324.98927 154.4
[M]+ 304.01405 139.6
[M]- 304.01515 139.6
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