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
3
Annotation Hits

0
References

133
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 177.2
[M+Na]+ 612.95262 180.6
[M-H]- 588.95612 189.7
[M+NH4]+ 607.99722 188.7
[M+K]+ 628.92656 191.9
[M+H-H2O]+ 572.96066 164.3
[M+HCOO]- 634.96160 191.8
[M+CH3COO]- 648.97725 245.8
[M+Na-2H]- 610.93807 176.8
[M]+ 589.96285 175.3
[M]- 589.96395 175.3
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