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]+ 521.04038 172.0
[M+Na]+ 543.02232 176.9
[M-H]- 519.02582 178.6
[M+NH4]+ 538.06692 180.8
[M+K]+ 558.99626 185.7
[M+H-H2O]+ 503.03036 161.2
[M+HCOO]- 565.03130 189.1
[M+CH3COO]- 579.04695 239.3
[M+Na-2H]- 541.00777 170.3
[M]+ 520.03255 169.9
[M]- 520.03365 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.