CID 67551

2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl acrylate

Structural Information

Molecular Formula
C11H5F15O2
SMILES
C=CC(=O)OCC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C11H5F15O2/c1-2-4(27)28-3-5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)26/h2H,1,3H2
InChIKey
YSQGYEYXKXGAQA-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1528
Patents

454.005 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.01228 161.1
[M+Na]+ 476.99422 168.4
[M-H]- 452.99772 167.7
[M+NH4]+ 472.03882 171.2
[M+K]+ 492.96816 174.3
[M+H-H2O]+ 437.00226 152.8
[M+HCOO]- 499.00320 181.2
[M+CH3COO]- 513.01885 229.4
[M+Na-2H]- 474.97967 160.8
[M]+ 454.00445 160.3
[M]- 454.00555 160.3
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