CID 12579042

1,3-bis(trifluoromethyl)cyclohexane

Structural Information

Molecular Formula
C8H10F6
SMILES
C1CC(CC(C1)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C8H10F6/c9-7(10,11)5-2-1-3-6(4-5)8(12,13)14/h5-6H,1-4H2
InChIKey
XIJLJFDFDZSWDG-UHFFFAOYSA-N
Compound name
1,3-bis(trifluoromethyl)cyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

228
Patents

220.06866 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.07594 164.7
[M+Na]+ 243.05788 168.7
[M+NH4]+ 238.10248 167.5
[M+K]+ 259.03182 164.3
[M-H]- 219.06138 158.2
[M+Na-2H]- 241.04333 164.3
[M]+ 220.06811 163.0
[M]- 220.06921 163.0
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

patents stripe