CID 102214

3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecyl methacrylate

Structural Information

Molecular Formula
C16H9F21O2
SMILES
CC(=C)C(=O)OCCC(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C16H9F21O2/c1-5(2)6(38)39-4-3-7(17,18)8(19,20)9(21,22)10(23,24)11(25,26)12(27,28)13(29,30)14(31,32)15(33,34)16(35,36)37/h1,3-4H2,2H3
InChIKey
FQHLOOOXLDQLPF-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecyl 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1191
Patents

632.02673 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 633.03401 194.9
[M+Na]+ 655.01595 200.1
[M-H]- 631.01945 205.9
[M+NH4]+ 650.06055 208.5
[M+K]+ 670.98989 212.5
[M+H-H2O]+ 615.02399 183.4
[M+HCOO]- 677.02493 210.6
[M+CH3COO]- 691.04058 256.4
[M+Na-2H]- 653.00140 194.4
[M]+ 632.02618 193.4
[M]- 632.02728 193.4
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