CID 2776167

1h,1h,2h,3h,3h-perfluoro(2-hydroxynon-1-yl) methacrylate

Structural Information

Molecular Formula
C13H11F13O3
SMILES
CC(=C)C(=O)OCC(CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C13H11F13O3/c1-5(2)7(28)29-4-6(27)3-8(14,15)9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)26/h6,27H,1,3-4H2,2H3
InChIKey
QJNMSQFOKUQZBA-UHFFFAOYSA-N
Compound name
(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-2-hydroxynonyl) 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

119
Patents

462.05005 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.05733 168.9
[M+Na]+ 485.03927 175.8
[M-H]- 461.04277 175.9
[M+NH4]+ 480.08387 179.1
[M+K]+ 501.01321 181.5
[M+H-H2O]+ 445.04731 161.6
[M+HCOO]- 507.04825 182.4
[M+CH3COO]- 521.06390 229.6
[M+Na-2H]- 483.02472 166.8
[M]+ 462.04950 166.8
[M]- 462.05060 166.8
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