CID 2782413

34598-33-9

Structural Information

Molecular Formula
C11H5F17O2
SMILES
C(CC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(=O)O
InChI
InChI=1S/C11H5F17O2/c12-4(13,2-1-3(29)30)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)28/h1-2H2,(H,29,30)
InChIKey
JZRCRCFPVAXHHQ-UHFFFAOYSA-N
Compound name
4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

265
Patents

492.0018 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 493.00908 164.6
[M+Na]+ 514.99102 169.9
[M-H]- 490.99452 171.8
[M+NH4]+ 510.03562 173.5
[M+K]+ 530.96496 177.9
[M+H-H2O]+ 474.99906 154.1
[M+HCOO]- 537.00000 182.5
[M+CH3COO]- 551.01565 234.4
[M+Na-2H]- 512.97647 163.8
[M]+ 492.00125 162.7
[M]- 492.00235 162.7
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