CID 139595215

Hpflca_i n=9

Structural Information

Molecular Formula
C11H2F20O2
SMILES
C(C(=O)O)(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
InChI
InChI=1S/C11H2F20O2/c12-1(2(32)33)3(13,14)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)11(29,30)31/h1H,(H,32,33)
InChIKey
HFLWLMAASPISEA-UHFFFAOYSA-N
Compound name
2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-icosafluoroundecanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

545.9736 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 546.98088 172.7
[M+Na]+ 568.96282 177.8
[M-H]- 544.96632 182.6
[M+NH4]+ 564.00742 183.7
[M+K]+ 584.93676 188.0
[M+H-H2O]+ 528.97086 161.9
[M+HCOO]- 590.97180 188.2
[M+CH3COO]- 604.98745 242.4
[M+Na-2H]- 566.94827 173.1
[M]+ 545.97305 170.0
[M]- 545.97415 170.0
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.