CID 84997

15577-26-1

Structural Information

Molecular Formula
C14H7F19O2
SMILES
C=CC(=O)OCCC(C(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C14H7F19O2/c1-2-5(34)35-4-3-6(15,16)8(18,19)10(22,23)12(26,27)11(24,25)9(20,21)7(17,13(28,29)30)14(31,32)33/h2H,1,3-4H2
InChIKey
QGIJZPXLSMRDCW-UHFFFAOYSA-N
Compound name
[3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-hexadecafluoro-9-(trifluoromethyl)decyl] prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

442
Patents

568.0143 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 569.02158 160.2
[M+Na]+ 591.00352 160.3
[M+NH4]+ 586.04812 153.8
[M+K]+ 606.97746 153.8
[M-H]- 567.00702 159.6
[M+Na-2H]- 588.98897 160.8
[M]+ 568.01375 153.7
[M]- 568.01485 153.7
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