CID 102236

2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl methacrylate

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
3
Annotation Hits

0
References

2872
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 172.8
[M+Na]+ 423.02248 180.6
[M-H]- 399.02598 164.5
[M+NH4]+ 418.06708 169.7
[M+K]+ 438.99642 177.9
[M+H-H2O]+ 383.03052 159.9
[M+HCOO]- 445.03146 174.4
[M+CH3COO]- 459.04711 222.2
[M+Na-2H]- 421.00793 172.1
[M]+ 400.03271 157.9
[M]- 400.03381 157.9
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