CID 547668

Dimethyl perfluoroazelate

Structural Information

Molecular Formula
C11H6F14O4
SMILES
COC(=O)C(C(C(C(C(C(C(C(=O)OC)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C11H6F14O4/c1-28-3(26)5(12,13)7(16,17)9(20,21)11(24,25)10(22,23)8(18,19)6(14,15)4(27)29-2/h1-2H3
InChIKey
HJMVOOGDJCOYSL-UHFFFAOYSA-N
Compound name
dimethyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluorononanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

468.00424 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.01152 164.3
[M+Na]+ 490.99346 171.2
[M-H]- 466.99696 173.6
[M+NH4]+ 486.03806 177.1
[M+K]+ 506.96740 177.1
[M+H-H2O]+ 451.00150 156.6
[M+HCOO]- 513.00244 182.6
[M+CH3COO]- 527.01809 230.9
[M+Na-2H]- 488.97891 163.6
[M]+ 468.00369 164.5
[M]- 468.00479 164.5
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