CID 139596218

Mhopflca n=8

Structural Information

Molecular Formula
C11H5F17O3
SMILES
C(C(=O)O)OCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C11H5F17O3/c12-4(13,2-31-1-3(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
NGXUCWBHJUZJMK-UHFFFAOYSA-N
Compound name
2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononoxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

507.99673 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 509.00401 165.2
[M+Na]+ 530.98595 170.1
[M-H]- 506.98945 173.0
[M+NH4]+ 526.03055 174.8
[M+K]+ 546.95989 178.1
[M+H-H2O]+ 490.99399 154.8
[M+HCOO]- 552.99493 183.1
[M+CH3COO]- 567.01058 236.0
[M+Na-2H]- 528.97140 164.2
[M]+ 507.99618 163.4
[M]- 507.99728 163.4
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.