CID 162396526

Dtxsid001034238

Structural Information

Molecular Formula
C8H3F13O4
SMILES
C(C(=O)O)OC(C(C(OC(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8H3F13O4/c9-3(10,5(13,14)15)7(18,19)25-8(20,21)4(11,12)6(16,17)24-1-2(22)23/h1H2,(H,22,23)
InChIKey
JCIHFTIEOXQJHO-UHFFFAOYSA-N
Compound name
2-[1,1,2,2,3,3-hexafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

409.98236 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.98964 172.1
[M+Na]+ 432.97158 154.1
[M-H]- 408.97508 154.0
[M+NH4]+ 428.01618 156.3
[M+K]+ 448.94552 178.8
[M+H-H2O]+ 392.97962 159.0
[M+HCOO]- 454.98056 167.3
[M+CH3COO]- 468.99621 218.2
[M+Na-2H]- 430.95703 175.6
[M]+ 409.98181 146.9
[M]- 409.98291 146.9
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.