CID 6365576

62361-02-8

Structural Information

Molecular Formula
C10H3F15O4
SMILES
COC(=O)C(C(C(OC(C(OC(=C(F)F)F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10H3F15O4/c1-27-4(26)5(14,15)6(16,17)9(22,23)29-7(18,8(19,20)21)10(24,25)28-3(13)2(11)12/h1H3
InChIKey
GHVOMBWCWWGKJR-UHFFFAOYSA-N
Compound name
methyl 2,2,3,3,4,4-hexafluoro-4-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxybutanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

471.9792 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.98648 163.1
[M+Na]+ 494.96842 170.7
[M-H]- 470.97192 171.9
[M+NH4]+ 490.01302 176.1
[M+K]+ 510.94236 175.9
[M+H-H2O]+ 454.97646 157.6
[M+HCOO]- 516.97740 178.8
[M+CH3COO]- 530.99305 230.4
[M+Na-2H]- 492.95387 163.0
[M]+ 471.97865 160.8
[M]- 471.97975 160.8
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

patents stripe