CID 10943092

1-cyclohexyl-2,2,2-trifluoroethan-1-ol

Structural Information

Molecular Formula
C8H13F3O
SMILES
C1CCC(CC1)C(C(F)(F)F)O
InChI
InChI=1S/C8H13F3O/c9-8(10,11)7(12)6-4-2-1-3-5-6/h6-7,12H,1-5H2
InChIKey
WDWKMZMIJJTUES-UHFFFAOYSA-N
Compound name
1-cyclohexyl-2,2,2-trifluoroethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

104
Patents

182.09184 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.09912 137.3
[M+Na]+ 205.08106 142.0
[M-H]- 181.08456 134.7
[M+NH4]+ 200.12566 156.1
[M+K]+ 221.05500 140.2
[M+H-H2O]+ 165.08910 129.9
[M+HCOO]- 227.09004 150.8
[M+CH3COO]- 241.10569 177.6
[M+Na-2H]- 203.06651 140.1
[M]+ 182.09129 127.2
[M]- 182.09239 127.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe