CID 131727913

Cf3-cfh-o-(cf2)5cooh

Structural Information

Molecular Formula
C8H2F14O3
SMILES
C(C(F)(F)F)(OC(C(C(C(C(C(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)F
InChI
InChI=1S/C8H2F14O3/c9-1(4(12,13)14)25-8(21,22)7(19,20)6(17,18)5(15,16)3(10,11)2(23)24/h1H,(H,23,24)
InChIKey
XZKWJYKPOPKHEA-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6-decafluoro-6-(1,2,2,2-tetrafluoroethoxy)hexanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

15
Patents

411.97803 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.98531 171.2
[M+Na]+ 434.96725 157.0
[M-H]- 410.97075 156.8
[M+NH4]+ 430.01185 159.1
[M+K]+ 450.94119 177.6
[M+H-H2O]+ 394.97529 157.7
[M+HCOO]- 456.97623 166.9
[M+CH3COO]- 470.99188 219.9
[M+Na-2H]- 432.95270 172.8
[M]+ 411.97748 148.1
[M]- 411.97858 148.1
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

patents stripe