CID 44228198

[4-(trifluoromethyl)cyclohexyl]methanol

Structural Information

Molecular Formula
C8H13F3O
SMILES
C1CC(CCC1CO)C(F)(F)F
InChI
InChI=1S/C8H13F3O/c9-8(10,11)7-3-1-6(5-12)2-4-7/h6-7,12H,1-5H2
InChIKey
DYUAPKHFRXRMTL-UHFFFAOYSA-N
Compound name
[4-(trifluoromethyl)cyclohexyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

279
Patents

182.09184 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.09912 136.9
[M+Na]+ 205.08106 142.8
[M-H]- 181.08456 134.6
[M+NH4]+ 200.12566 156.1
[M+K]+ 221.05500 140.5
[M+H-H2O]+ 165.08910 129.7
[M+HCOO]- 227.09004 151.4
[M+CH3COO]- 241.10569 177.9
[M+Na-2H]- 203.06651 140.3
[M]+ 182.09129 127.9
[M]- 182.09239 127.9
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