CID 120674

(1,1,2,2-tetrafluoroethoxy)cyclohexane

Structural Information

Molecular Formula
C8H12F4O
SMILES
C1CCC(CC1)OC(C(F)F)(F)F
InChI
InChI=1S/C8H12F4O/c9-7(10)8(11,12)13-6-4-2-1-3-5-6/h6-7H,1-5H2
InChIKey
DKMSBDIJYXIGEB-UHFFFAOYSA-N
Compound name
1,1,2,2-tetrafluoroethoxycyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

200.08243 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.08971 139.6
[M+Na]+ 223.07165 144.6
[M-H]- 199.07515 136.9
[M+NH4]+ 218.11625 158.2
[M+K]+ 239.04559 143.3
[M+H-H2O]+ 183.07969 130.8
[M+HCOO]- 245.08063 153.4
[M+CH3COO]- 259.09628 183.9
[M+Na-2H]- 221.05710 142.2
[M]+ 200.08188 130.2
[M]- 200.08298 130.2
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