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]+ 289.02693 139.3
[M+Na]+ 311.00887 153.9
[M-H]- 287.01237 134.0
[M+NH4]+ 306.05347 163.1
[M+K]+ 326.98281 150.8
[M+H-H2O]+ 271.01691 130.6
[M+HCOO]- 333.01785 151.9
[M+CH3COO]- 347.03350 202.0
[M+Na-2H]- 308.99432 143.0
[M]+ 288.01910 130.0
[M]- 288.02020 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.