CID 13570053

103628-86-0

Structural Information

Molecular Formula
C11H9F13O
SMILES
C=CCOCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C11H9F13O/c1-2-4-25-5-3-6(12,13)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h2H,1,3-5H2
InChIKey
GPVGUNIIVWJTLK-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-prop-2-enoxyoctane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

56
Patents

404.0446 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.05188 179.9
[M+Na]+ 427.03382 188.3
[M-H]- 403.03732 165.5
[M+NH4]+ 422.07842 163.3
[M+K]+ 443.00776 184.4
[M+H-H2O]+ 387.04186 166.1
[M+HCOO]- 449.04280 178.2
[M+CH3COO]- 463.05845 222.8
[M+Na-2H]- 425.01927 182.0
[M]+ 404.04405 161.6
[M]- 404.04515 161.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe