CID 2776226

2-propenoic acid, 2-methyl-, 4,4,5,5,6,6,7,7,8,9,9,9-dodecafluoro-2-hydroxy-8-(trifluoromethyl)nonyl ester

Structural Information

Molecular Formula
C14H11F15O3
SMILES
CC(=C)C(=O)OCC(CC(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C14H11F15O3/c1-5(2)7(31)32-4-6(30)3-8(15,16)10(18,19)12(22,23)11(20,21)9(17,13(24,25)26)14(27,28)29/h6,30H,1,3-4H2,2H3
InChIKey
RPDBRTLKDYJCCE-UHFFFAOYSA-N
Compound name
[4,4,5,5,6,6,7,7,8,9,9,9-dodecafluoro-2-hydroxy-8-(trifluoromethyl)nonyl] 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

559
Patents

512.0469 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 513.05418 176.7
[M+Na]+ 535.03612 182.9
[M-H]- 511.03962 185.4
[M+NH4]+ 530.08072 188.1
[M+K]+ 551.01006 190.7
[M+H-H2O]+ 495.04416 168.0
[M+HCOO]- 557.04510 190.1
[M+CH3COO]- 571.06075 237.2
[M+Na-2H]- 533.02157 174.7
[M]+ 512.04635 174.4
[M]- 512.04745 174.4
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