CID 23432499

1-ethoxy-1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane

Structural Information

Molecular Formula
C7H5F11O
SMILES
CCOC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C7H5F11O/c1-2-19-7(17,18)5(12,13)3(8,9)4(10,11)6(14,15)16/h2H2,1H3
InChIKey
YCXOPGWIXHEAFZ-UHFFFAOYSA-N
Compound name
1-ethoxy-1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

94
Patents

314.01648 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.02376 156.5
[M+Na]+ 337.00570 165.8
[M-H]- 313.00920 144.3
[M+NH4]+ 332.05030 170.3
[M+K]+ 352.97964 163.6
[M+H-H2O]+ 297.01374 144.5
[M+HCOO]- 359.01468 160.7
[M+CH3COO]- 373.03033 206.4
[M+Na-2H]- 334.99115 160.6
[M]+ 314.01593 141.2
[M]- 314.01703 141.2
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