CID 14618898

129051-93-0

Structural Information

Molecular Formula
C13H8F10O2
SMILES
C=CC1=CC(=CC=C1)OC(C(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F
InChI
InChI=1S/C13H8F10O2/c1-2-7-4-3-5-8(6-7)24-10(15,16)9(14)25-13(22,23)11(17,18)12(19,20)21/h2-6,9H,1H2
InChIKey
LLNVBLQWKUBBSO-UHFFFAOYSA-N
Compound name
1-ethenyl-3-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

386.03647 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.04375 175.7
[M+Na]+ 409.02569 184.6
[M-H]- 385.02919 167.1
[M+NH4]+ 404.07029 186.7
[M+K]+ 424.99963 180.3
[M+H-H2O]+ 369.03373 162.2
[M+HCOO]- 431.03467 181.4
[M+CH3COO]- 445.05032 217.9
[M+Na-2H]- 407.01114 177.4
[M]+ 386.03592 163.4
[M]- 386.03702 163.4
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