CID 102236

2261-99-6

Structural Information

Molecular Formula
C11H8F12O2
SMILES
CC(=C)C(=O)OCC(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C11H8F12O2/c1-4(2)5(24)25-3-7(14,15)9(18,19)11(22,23)10(20,21)8(16,17)6(12)13/h6H,1,3H2,2H3
InChIKey
YJKHMSPWWGBKTN-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2845
Patents

400.03326 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.04054 185.8
[M+Na]+ 423.02248 185.5
[M+NH4]+ 418.06708 184.5
[M+K]+ 438.99642 184.0
[M-H]- 399.02598 180.0
[M+Na-2H]- 421.00793 183.0
[M]+ 400.03271 183.8
[M]- 400.03381 183.8
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