CID 86703447

[1-(trifluoromethyl)cyclohexyl]methanol

Structural Information

Molecular Formula
C8H13F3O
SMILES
C1CCC(CC1)(CO)C(F)(F)F
InChI
InChI=1S/C8H13F3O/c9-8(10,11)7(6-12)4-2-1-3-5-7/h12H,1-6H2
InChIKey
MPRWQIILGRHOAG-UHFFFAOYSA-N
Compound name
[1-(trifluoromethyl)cyclohexyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

182.09184 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.09912 137.4
[M+Na]+ 205.08106 143.2
[M-H]- 181.08456 135.1
[M+NH4]+ 200.12566 158.3
[M+K]+ 221.05500 141.3
[M+H-H2O]+ 165.08910 130.8
[M+HCOO]- 227.09004 151.9
[M+CH3COO]- 241.10569 176.3
[M+Na-2H]- 203.06651 142.6
[M]+ 182.09129 128.3
[M]- 182.09239 128.3
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