CID 3023875

94159-86-1

Structural Information

Molecular Formula
C13H9F17O2
SMILES
C=COCC(CC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C13H9F17O2/c1-2-32-4-5(31)3-6(14,15)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)12(26,27)13(28,29)30/h2,5,31H,1,3-4H2
InChIKey
XLLVATUSJHKQQF-UHFFFAOYSA-N
Compound name
1-ethenoxy-4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

520.0331 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 521.040376 172.0
[M+Na]+ 543.022318 176.9
[M-H]- 519.025824 178.6
[M+NH4]+ 538.066923 180.8
[M+K]+ 558.996258 185.7
[M+H-H2O]+ 503.030360 161.2
[M+HCOO]- 565.031301 189.1
[M+CH3COO]- 579.046951 239.3
[M+Na-2H]- 541.007766 170.3
[M]+ 520.03255142 169.9
[M]- 520.03364858 169.9
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

No patent data available for this compound.