CID 2778677

Perfluoro-3,6-dioxadecanoic acid

Structural Information

Molecular Formula
C8HF15O4
SMILES
C(=O)(C(OC(C(OC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C8HF15O4/c9-2(10,1(24)25)26-7(20,21)8(22,23)27-6(18,19)4(13,14)3(11,12)5(15,16)17/h(H,24,25)
InChIKey
PPSAKBBLKCJDCR-UHFFFAOYSA-N
Compound name
2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

33
Patents

445.96353 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.97081 151.2
[M+Na]+ 468.95275 156.6
[M-H]- 444.95625 158.8
[M+NH4]+ 463.99735 160.4
[M+K]+ 484.92669 161.9
[M+H-H2O]+ 428.96079 142.5
[M+HCOO]- 490.96173 170.3
[M+CH3COO]- 504.97738 224.4
[M+Na-2H]- 466.93820 150.7
[M]+ 445.96298 149.8
[M]- 445.96408 149.8
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