CID 2776058

Perfluoro-1,10-decanedicarboxylic acid

Structural Information

Molecular Formula
C12H2F20O4
SMILES
C(=O)(C(C(C(C(C(C(C(C(C(C(C(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C12H2F20O4/c13-3(14,1(33)34)5(17,18)7(21,22)9(25,26)11(29,30)12(31,32)10(27,28)8(23,24)6(19,20)4(15,16)2(35)36/h(H,33,34)(H,35,36)
InChIKey
PJXYUQMFTNTTLI-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluorododecanedioic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

131
Patents

589.9634 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 590.97068 153.2
[M+Na]+ 612.95262 153.3
[M+NH4]+ 607.99722 153.3
[M+K]+ 628.92656 153.3
[M-H]- 588.95612 153.2
[M+Na-2H]- 610.93807 153.2
[M]+ 589.96285 153.3
[M]- 589.96395 153.3
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