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

268
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 141.9
[M+Na]+ 243.05788 148.9
[M-H]- 219.06138 137.3
[M+NH4]+ 238.10248 160.1
[M+K]+ 259.03182 146.2
[M+H-H2O]+ 203.06592 132.2
[M+HCOO]- 265.06686 152.7
[M+CH3COO]- 279.08251 187.3
[M+Na-2H]- 241.04333 144.6
[M]+ 220.06811 128.7
[M]- 220.06921 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