CID 139596508

2h-perfluorododecanoic acid

Structural Information

Molecular Formula
C12H2F22O2
SMILES
C(C(=O)O)(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F
InChI
InChI=1S/C12H2F22O2/c13-1(2(35)36)3(14,15)4(16,17)5(18,19)6(20,21)7(22,23)8(24,25)9(26,27)10(28,29)11(30,31)12(32,33)34/h1H,(H,35,36)
InChIKey
OWXHAGXZCNXPEN-UHFFFAOYSA-N
Compound name
2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-docosafluorododecanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

595.97034 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 596.97762 180.9
[M+Na]+ 618.95956 185.3
[M-H]- 594.96306 191.8
[M+NH4]+ 614.00416 192.5
[M+K]+ 634.93350 197.1
[M+H-H2O]+ 578.96760 169.2
[M+HCOO]- 640.96854 195.9
[M+CH3COO]- 654.98419 249.2
[M+Na-2H]- 616.94501 181.5
[M]+ 595.96979 178.1
[M]- 595.97089 178.1
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

No patent data available for this compound.