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

literature stripe

Patent stripe

patents stripe