CID 94610

Einecs 264-518-0

Structural Information

Molecular Formula
C9H3F13O4
SMILES
COC(=O)C(C(OC(C(OC(=C(F)F)F)(F)F)(C(F)(F)F)F)(F)F)(F)F
InChI
InChI=1S/C9H3F13O4/c1-24-4(23)5(13,14)8(19,20)26-6(15,7(16,17)18)9(21,22)25-3(12)2(10)11/h1H3
InChIKey
OVAULROCPRKKJF-UHFFFAOYSA-N
Compound name
methyl 2,2,3,3-tetrafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxypropanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

197
Patents

421.98236 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.98964 156.0
[M+Na]+ 444.97158 164.3
[M-H]- 420.97508 163.2
[M+NH4]+ 440.01618 167.9
[M+K]+ 460.94552 167.1
[M+H-H2O]+ 404.97962 159.4
[M+HCOO]- 466.98056 171.9
[M+CH3COO]- 480.99621 221.9
[M+Na-2H]- 442.95703 173.2
[M]+ 421.98181 153.8
[M]- 421.98291 153.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe