CID 44147948

Einecs 304-112-3

Structural Information

Molecular Formula
C50H55F13O21Si
SMILES
C=CC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)CO[Si](CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C
InChI
InChI=1S/C50H55F13O21Si/c1-10-33(64)73-21-42(22-74-34(65)11-2,23-75-35(66)12-3)30-82-85(20-19-45(51,52)46(53,54)47(55,56)48(57,58)49(59,60)50(61,62)63,83-31-43(24-76-36(67)13-4,25-77-37(68)14-5)26-78-38(69)15-6)84-32-44(27-79-39(70)16-7,28-80-40(71)17-8)29-81-41(72)18-9/h10-18H,1-9,19-32H2
InChIKey
BNJYLQUDLJSQIH-UHFFFAOYSA-N
Compound name
[2-[[bis[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silyl]oxymethyl]-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

1266.2798 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1267.2871 376.1
[M+Na]+ 1289.2690 378.3
[M-H]- 1265.2725 404.4
[M+NH4]+ 1284.3136 412.4
[M+K]+ 1305.2430 395.4
[M+H-H2O]+ 1249.2771 364.8
[M+HCOO]- 1311.2780 370.3
[M+CH3COO]- 1325.2937 325.1
[M+Na-2H]- 1287.2545 360.0
[M]+ 1266.2793 403.1
[M]- 1266.2803 403.1
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