CID 139598288

Perfluoro-n-methoxy nonanoic acid

Structural Information

Molecular Formula
C10HF19O3
SMILES
C(=O)(C(C(C(C(C(C(C(C(OC(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C10HF19O3/c11-2(12,1(30)31)3(13,14)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)32-10(27,28)29/h(H,30,31)
InChIKey
ZWETYIWVUKHRIY-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-9-(trifluoromethoxy)nonanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

529.9622 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 530.96948 165.6
[M+Na]+ 552.95142 170.1
[M-H]- 528.95492 175.2
[M+NH4]+ 547.99602 176.1
[M+K]+ 568.92536 179.4
[M+H-H2O]+ 512.95946 154.4
[M+HCOO]- 574.96040 183.7
[M+CH3COO]- 588.97605 238.9
[M+Na-2H]- 550.93687 165.8
[M]+ 529.96165 163.9
[M]- 529.96275 163.9
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.