CID 162396519

Dtxsid101034217

Structural Information

Molecular Formula
C10H4F16O5
SMILES
C(C(=O)O)OC(C(OC(C(C(OC(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F)(F)F
InChI
InChI=1S/C10H4F16O5/c11-3(4(12,13)29-1-2(27)28)30-8(21,22)6(16,17)10(25,26)31-9(23,24)5(14,15)7(18,19)20/h3H,1H2,(H,27,28)
InChIKey
ILJAMJMMAJVXGY-UHFFFAOYSA-N
Compound name
2-[1,1,2-trifluoro-2-[1,1,2,2,3,3-hexafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]ethoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

507.98032 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 508.98760 163.8
[M+Na]+ 530.96954 168.6
[M-H]- 506.97304 172.4
[M+NH4]+ 526.01414 174.8
[M+K]+ 546.94348 175.3
[M+H-H2O]+ 490.97758 155.4
[M+HCOO]- 552.97852 179.6
[M+CH3COO]- 566.99417 234.4
[M+Na-2H]- 528.95499 162.5
[M]+ 507.97977 161.4
[M]- 507.98087 161.4
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.