CID 102331880

Chloro-perfluoro methyl diether nonanoic acid

Structural Information

Molecular Formula
C8HClF14O4
SMILES
C(=O)(C(OC(C(OC(C(C(F)(F)F)(F)Cl)(F)F)(F)F)(C(F)(F)F)F)(F)F)O
InChI
InChI=1S/C8HClF14O4/c9-3(12,5(14,15)16)7(20,21)27-8(22,23)4(13,6(17,18)19)26-2(10,11)1(24)25/h(H,24,25)
InChIKey
JZLICTXOXFCCDU-UHFFFAOYSA-N
Compound name
2-[1-(2-chloro-1,1,2,3,3,3-hexafluoropropoxy)-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

461.934 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 462.941276 154.5
[M+Na]+ 484.923218 160.3
[M-H]- 460.926724 162.9
[M+NH4]+ 479.967823 164.3
[M+K]+ 500.897158 165.6
[M+H-H2O]+ 444.931260 162.6
[M+HCOO]- 506.932201 174.0
[M+CH3COO]- 520.947851 224.2
[M+Na-2H]- 482.908666 154.0
[M]+ 461.93345142 155.9
[M]- 461.93454858 155.9
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.