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

49
Patents

264.01965 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.02693 145.7
[M+Na]+ 287.00887 154.9
[M-H]- 263.01237 135.4
[M+NH4]+ 282.05347 161.7
[M+K]+ 302.98281 153.2
[M+H-H2O]+ 247.01691 135.0
[M+HCOO]- 309.01785 153.7
[M+CH3COO]- 323.03350 196.8
[M+Na-2H]- 284.99432 150.5
[M]+ 264.01910 133.7
[M]- 264.02020 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