CID 162396486

Dtxsid701034227

Structural Information

Molecular Formula
C8H4F12O4
SMILES
C(C(=O)O)OC(C(C(OC(C(C(F)(F)F)(F)F)(F)F)(F)F)F)(F)F
InChI
InChI=1S/C8H4F12O4/c9-3(4(10,11)23-1-2(21)22)5(12,13)24-8(19,20)6(14,15)7(16,17)18/h3H,1H2,(H,21,22)
InChIKey
DIAYCAFMRNHNEA-UHFFFAOYSA-N
Compound name
2-[1,1,2,3,3-pentafluoro-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

391.9918 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.99908 167.8
[M+Na]+ 414.98102 175.9
[M-H]- 390.98452 153.8
[M+NH4]+ 410.02562 157.0
[M+K]+ 430.95496 174.3
[M+H-H2O]+ 374.98906 155.0
[M+HCOO]- 436.99000 165.3
[M+CH3COO]- 451.00565 215.5
[M+Na-2H]- 412.96647 169.5
[M]+ 391.99125 146.7
[M]- 391.99235 146.7
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.