CID 85879735

3,3,4,4,5,5,6,6,7,7-decafluorooctyl 2-methylprop-2-enoate

Structural Information

Molecular Formula
C12H12F10O2
SMILES
CC(=C)C(=O)OCCC(C(C(C(C(C)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C12H12F10O2/c1-6(2)7(23)24-5-4-9(15,16)11(19,20)12(21,22)10(17,18)8(3,13)14/h1,4-5H2,2-3H3
InChIKey
ZLBLHEUUSFNQAN-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,7,7-decafluorooctyl 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

378.06775 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.07503 172.1
[M+Na]+ 401.05697 179.6
[M-H]- 377.06047 160.5
[M+NH4]+ 396.10157 168.2
[M+K]+ 417.03091 177.0
[M+H-H2O]+ 361.06501 160.6
[M+HCOO]- 423.06595 176.7
[M+CH3COO]- 437.08160 218.7
[M+Na-2H]- 399.04242 173.1
[M]+ 378.06720 159.0
[M]- 378.06830 159.0
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