CID 20187999

Undecafluoropentyl 2-methylprop-2-enoate

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

123
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 161.9
[M+Na]+ 377.00060 170.7
[M-H]- 353.00410 149.6
[M+NH4]+ 372.04520 158.2
[M+K]+ 392.97454 168.3
[M+H-H2O]+ 337.00864 150.0
[M+HCOO]- 399.00958 167.5
[M+CH3COO]- 413.02523 212.5
[M+Na-2H]- 374.98605 163.7
[M]+ 354.01083 146.1
[M]- 354.01193 146.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe