CID 169447946

Refchem:53315

Structural Information

Molecular Formula
C17HClF32O7
SMILES
C(=O)(C(OC(C(OC(C(OC(C(OC(C(OC(C(C(F)(F)F)(F)Cl)(F)F)(F)F)(C(F)(F)F)F)(F)F)(C(F)(F)F)F)(F)F)(C(F)(F)F)F)(F)F)(C(F)(F)F)F)(F)F)O
InChI
InChI=1S/C17HClF32O7/c18-3(21,8(26,27)28)13(41,42)57-17(49,50)7(25,12(38,39)40)56-16(47,48)6(24,11(35,36)37)55-15(45,46)5(23,10(32,33)34)54-14(43,44)4(22,9(29,30)31)53-2(19,20)1(51)52/h(H,51,52)
InChIKey
HWPVWYVBOOKNTN-UHFFFAOYSA-N
Compound name
2-[1-[1-[1-[1-(2-chloro-1,1,2,3,3,3-hexafluoropropoxy)-1,1,2,3,3,3-hexafluoropropan-2-yl]oxy-1,1,2,3,3,3-hexafluoropropan-2-yl]oxy-1,1,2,3,3,3-hexafluoropropan-2-yl]oxy-1,1,2,3,3,3-hexafluoropropan-2-yl]oxy-2,2-difluoroacetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

959.88995 Da
Monoisotopic Mass

11.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 960.897226 224.3
[M+Na]+ 982.879168 224.9
[M-H]- 958.882674 240.1
[M+NH4]+ 977.923773 238.8
[M+K]+ 998.853108 240.9
[M+H-H2O]+ 942.887210 211.3
[M+HCOO]- 1004.888151 237.6
[M+CH3COO]- 1018.903801 275.0
[M+Na-2H]- 980.864616 226.6
[M]+ 959.88940142 224.7
[M]- 959.89049858 224.7
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.