CID 3024059

94231-58-0

Structural Information

Molecular Formula
C13H6F20O
SMILES
C=COCC(C(C(C(C(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C13H6F20O/c1-2-34-3-5(16,17)7(20,21)9(24,25)11(28,29)13(32,33)12(30,31)10(26,27)8(22,23)6(18,19)4(14)15/h2,4H,1,3H2
InChIKey
UBJGZTCVIFHNPM-UHFFFAOYSA-N
Compound name
11-ethenoxy-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-icosafluoroundecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5
Patents

558.00995 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 559.01723 177.5
[M+Na]+ 580.99917 183.0
[M-H]- 557.00267 185.2
[M+NH4]+ 576.04377 188.4
[M+K]+ 596.97311 193.6
[M+H-H2O]+ 541.00721 166.8
[M+HCOO]- 603.00815 195.5
[M+CH3COO]- 617.02380 247.6
[M+Na-2H]- 578.98462 177.5
[M]+ 558.00940 175.6
[M]- 558.01050 175.6
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