CID 2737119

Dimethyl perfluoro-1,10-decanedicarboxylate

Structural Information

Molecular Formula
C14H6F20O4
SMILES
COC(=O)C(C(C(C(C(C(C(C(C(C(C(=O)OC)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C14H6F20O4/c1-37-3(35)5(15,16)7(19,20)9(23,24)11(27,28)13(31,32)14(33,34)12(29,30)10(25,26)8(21,22)6(17,18)4(36)38-2/h1-2H3
InChIKey
GHVIUCXUOSDTBP-UHFFFAOYSA-N
Compound name
dimethyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluorododecanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

617.9947 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 619.00198 188.6
[M+Na]+ 640.98392 193.4
[M-H]- 616.98742 201.5
[M+NH4]+ 636.02852 203.6
[M+K]+ 656.95786 205.1
[M+H-H2O]+ 600.99196 177.4
[M+HCOO]- 662.99290 205.2
[M+CH3COO]- 677.00855 253.0
[M+Na-2H]- 638.96937 188.4
[M]+ 617.99415 188.6
[M]- 617.99525 188.6
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