CID 75258

2251-83-4

Structural Information

Molecular Formula
C8H5F9O
SMILES
CCOC1=C(C(C(C(C1(F)F)(F)F)(F)F)(F)F)F
InChI
InChI=1S/C8H5F9O/c1-2-18-4-3(9)5(10,11)7(14,15)8(16,17)6(4,12)13/h2H2,1H3
InChIKey
XPHSDHDMBQDUMB-UHFFFAOYSA-N
Compound name
1-ethoxy-2,3,3,4,4,5,5,6,6-nonafluorocyclohexene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.01965 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.026926 139.3
[M+Na]+ 311.008868 153.9
[M-H]- 287.012374 134.0
[M+NH4]+ 306.053473 163.1
[M+K]+ 326.982808 150.8
[M+H-H2O]+ 271.016910 130.6
[M+HCOO]- 333.017851 151.9
[M+CH3COO]- 347.033501 202.0
[M+Na-2H]- 308.994316 143.0
[M]+ 288.01910142 130.0
[M]- 288.02019858 130.0
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.