CID 67550

1765-48-6

Structural Information

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

2D Structure

compound 2d structure
4
Annotation Hits

1
References

53
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 172.4
[M+Na]+ 568.96282 177.4
[M-H]- 544.96632 182.2
[M+NH4]+ 564.00742 183.4
[M+K]+ 584.93676 187.7
[M+H-H2O]+ 528.97086 161.6
[M+HCOO]- 590.97180 187.8
[M+CH3COO]- 604.98745 243.0
[M+Na-2H]- 566.94827 172.8
[M]+ 545.97305 169.7
[M]- 545.97415 169.7
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