CID 12579042

79850-12-7

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

255
Patents

220.06866 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.075936 141.9
[M+Na]+ 243.057878 148.9
[M-H]- 219.061384 137.3
[M+NH4]+ 238.102483 160.1
[M+K]+ 259.031818 146.2
[M+H-H2O]+ 203.065920 132.2
[M+HCOO]- 265.066861 152.7
[M+CH3COO]- 279.082511 187.3
[M+Na-2H]- 241.043326 144.6
[M]+ 220.06811142 128.7
[M]- 220.06920858 128.7
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