CID 75360834

4-(1,1-difluoroethoxy)-1,1,1,2,2,3,3-heptafluorobutane

Structural Information

Molecular Formula
C6H5F9O
SMILES
CC(OCC(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C6H5F9O/c1-3(7,8)16-2-4(9,10)5(11,12)6(13,14)15/h2H2,1H3
InChIKey
ZAUXRLVUBYXUQJ-UHFFFAOYSA-N
Compound name
4-(1,1-difluoroethoxy)-1,1,1,2,2,3,3-heptafluorobutane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

43
Patents

264.01965 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.026926 145.7
[M+Na]+ 287.008868 154.9
[M-H]- 263.012374 135.4
[M+NH4]+ 282.053473 161.7
[M+K]+ 302.982808 153.2
[M+H-H2O]+ 247.016910 135.0
[M+HCOO]- 309.017851 153.7
[M+CH3COO]- 323.033501 196.8
[M+Na-2H]- 284.994316 150.5
[M]+ 264.01910142 133.7
[M]- 264.02019858 133.7
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