CID 57824176

1,1,1,3,3,4,4,4-octafluoro-2-(trifluoromethyl)butan-2-yl 2-methylprop-2-enoate

Structural Information

Molecular Formula
C9H5F11O2
SMILES
CC(=C)C(=O)OC(C(C(F)(F)F)(F)F)(C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C9H5F11O2/c1-3(2)4(21)22-5(7(12,13)14,8(15,16)17)6(10,11)9(18,19)20/h1H2,2H3
InChIKey
ZYEKBRZVGPYUIW-UHFFFAOYSA-N
Compound name
[1,1,1,3,3,4,4,4-octafluoro-2-(trifluoromethyl)butan-2-yl] 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5
Patents

354.01138 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.01866 162.1
[M+Na]+ 377.00060 171.0
[M-H]- 353.00410 150.0
[M+NH4]+ 372.04520 159.1
[M+K]+ 392.97454 168.7
[M+H-H2O]+ 337.00864 150.3
[M+HCOO]- 399.00958 164.7
[M+CH3COO]- 413.02523 211.3
[M+Na-2H]- 374.98605 163.9
[M]+ 354.01083 146.2
[M]- 354.01193 146.2
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