CID 172915006

Difluoro[1,1,2,3,3,3-hexafluoro-2-(1,1,2,3,3,3-hexafluoropropoxy)propoxy]acetic acid

Structural Information

Molecular Formula
C8H2F14O4
SMILES
C(C(OC(C(OC(C(=O)O)(F)F)(F)F)(C(F)(F)F)F)(F)F)(C(F)(F)F)F
InChI
InChI=1S/C8H2F14O4/c9-1(3(10,11)12)4(13,14)25-6(17,7(18,19)20)8(21,22)26-5(15,16)2(23)24/h1H,(H,23,24)
InChIKey
PRHHPWLHMYCAEB-UHFFFAOYSA-N
Compound name
2,2-difluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,3,3,3-hexafluoropropoxy)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]+ 428.980236 151.9
[M+Na]+ 450.962178 158.1
[M-H]- 426.965684 158.9
[M+NH4]+ 446.006783 161.3
[M+K]+ 466.936118 162.1
[M+H-H2O]+ 410.970220 160.2
[M+HCOO]- 472.971161 168.5
[M+CH3COO]- 486.986811 221.1
[M+Na-2H]- 448.947626 151.2
[M]+ 427.97241142 149.6
[M]- 427.97350858 149.6
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

No patent data available for this compound.