CID 165363145

R-eve

Structural Information

Molecular Formula
C8H2F12O5
SMILES
C(=O)(C(C(C(C(F)(F)F)(OC(C(C(=O)O)(F)F)(F)F)F)(F)F)(F)F)O
InChI
InChI=1S/C8H2F12O5/c9-3(10,1(21)22)5(13,14)6(15,7(16,17)18)25-8(19,20)4(11,12)2(23)24/h(H,21,22)(H,23,24)
InChIKey
QXOANJGNOJXRFS-UHFFFAOYSA-N
Compound name
4-(2-carboxy-1,1,2,2-tetrafluoroethoxy)-2,2,3,3,4,5,5,5-octafluoropentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.97107 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.97835 147.3
[M+Na]+ 428.96029 152.8
[M-H]- 404.96379 155.4
[M+NH4]+ 424.00489 155.6
[M+K]+ 444.93423 155.8
[M+H-H2O]+ 388.96833 154.9
[M+HCOO]- 450.96927 163.5
[M+CH3COO]- 464.98492 214.8
[M+Na-2H]- 426.94574 145.9
[M]+ 405.97052 145.6
[M]- 405.97162 145.6
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.