CID 2776198

4,4,5,5,6,7,7,7-octafluoro-2-hydroxy-6-(trifluoromethyl)heptyl methacrylate

Structural Information

Molecular Formula
C12H11F11O3
SMILES
CC(=C)C(=O)OCC(CC(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)O
InChI
InChI=1S/C12H11F11O3/c1-5(2)7(25)26-4-6(24)3-8(13,14)10(16,17)9(15,11(18,19)20)12(21,22)23/h6,24H,1,3-4H2,2H3
InChIKey
LZKRGSPBGVICLV-UHFFFAOYSA-N
Compound name
[4,4,5,5,6,7,7,7-octafluoro-2-hydroxy-6-(trifluoromethyl)heptyl] 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

539
Patents

412.05325 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.06053 176.7
[M+Na]+ 435.04247 170.1
[M-H]- 411.04597 168.0
[M+NH4]+ 430.08707 171.6
[M+K]+ 451.01641 181.0
[M+H-H2O]+ 395.05051 164.8
[M+HCOO]- 457.05145 176.2
[M+CH3COO]- 471.06710 220.4
[M+Na-2H]- 433.02792 176.1
[M]+ 412.05270 160.6
[M]- 412.05380 160.6
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