CID 11028244

53826-13-4

Structural Information

Molecular Formula
C12H3F21O2
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
InChI
InChI=1S/C12H3F21O2/c13-3(14,1-2(34)35)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)11(29,30)12(31,32)33/h1H2,(H,34,35)
InChIKey
IKHNVATUHWDNGI-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

27
Patents

577.9798 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 578.98708 176.5
[M+Na]+ 600.96902 180.8
[M-H]- 576.97252 186.5
[M+NH4]+ 596.01362 187.2
[M+K]+ 616.94296 192.0
[M+H-H2O]+ 560.97706 164.2
[M+HCOO]- 622.97800 193.8
[M+CH3COO]- 636.99365 246.7
[M+Na-2H]- 598.95447 176.8
[M]+ 577.97925 174.6
[M]- 577.98035 174.6
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