CID 162396535

Dtxsid701034146

Structural Information

Molecular Formula
C8H2F14O4
SMILES
C(C(=O)O)(OC(C(C(OC(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F
InChI
InChI=1S/C8H2F14O4/c9-1(2(23)24)25-6(17,18)4(12,13)8(21,22)26-7(19,20)3(10,11)5(14,15)16/h1H,(H,23,24)
InChIKey
KNKREEYPFRYMBH-UHFFFAOYSA-N
Compound name
2-fluoro-2-[1,1,2,2,3,3-hexafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

427.97296 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.98024 151.5
[M+Na]+ 450.96218 157.6
[M-H]- 426.96568 158.4
[M+NH4]+ 446.00678 160.9
[M+K]+ 466.93612 161.8
[M+H-H2O]+ 410.97022 160.1
[M+HCOO]- 472.97116 168.1
[M+CH3COO]- 486.98681 221.7
[M+Na-2H]- 448.94763 150.8
[M]+ 427.97241 149.2
[M]- 427.97351 149.2
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.