CID 71651364

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

Structural Information

Molecular Formula
C6H6ClF7O
SMILES
C(CCl)OCC(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C6H6ClF7O/c7-1-2-15-3-4(8,9)5(10,11)6(12,13)14/h1-3H2
InChIKey
KCSGFPCJXJVTEG-UHFFFAOYSA-N
Compound name
4-(2-chloroethoxy)-1,1,1,2,2,3,3-heptafluorobutane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

261.99954 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.00682 143.0
[M+Na]+ 284.98876 152.6
[M-H]- 260.99226 134.8
[M+NH4]+ 280.03336 160.4
[M+K]+ 300.96270 149.0
[M+H-H2O]+ 244.99680 134.3
[M+HCOO]- 306.99774 150.5
[M+CH3COO]- 321.01339 193.8
[M+Na-2H]- 282.97421 148.0
[M]+ 261.99899 136.7
[M]- 262.00009 136.7
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

No patent data available for this compound.