CID 22292514

Pentadecafluoroheptyl 2-methylprop-2-enoate

Structural Information

Molecular Formula
C11H5F15O2
SMILES
CC(=C)C(=O)OC(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/c1-3(2)4(27)28-11(25,26)9(20,21)7(16,17)5(12,13)6(14,15)8(18,19)10(22,23)24/h1H2,2H3
InChIKey
HEFHMJVNMXDZKE-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

182
Patents

454.005 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.01228 163.5
[M+Na]+ 476.99422 171.1
[M-H]- 452.99772 171.5
[M+NH4]+ 472.03882 175.0
[M+K]+ 492.96816 177.5
[M+H-H2O]+ 437.00226 155.7
[M+HCOO]- 499.00320 181.5
[M+CH3COO]- 513.01885 230.0
[M+Na-2H]- 474.97967 163.5
[M]+ 454.00445 162.7
[M]- 454.00555 162.7
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