CID 145874347

[3-cyclohexyl-5-(trifluoromethyl)phenyl]methanol

Structural Information

Molecular Formula
C14H17F3O
SMILES
C1CCC(CC1)C2=CC(=CC(=C2)CO)C(F)(F)F
InChI
InChI=1S/C14H17F3O/c15-14(16,17)13-7-10(9-18)6-12(8-13)11-4-2-1-3-5-11/h6-8,11,18H,1-5,9H2
InChIKey
AHYKNEJEYUHKAN-UHFFFAOYSA-N
Compound name
[3-cyclohexyl-5-(trifluoromethyl)phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.12314 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.13042 157.1
[M+Na]+ 281.11236 162.7
[M-H]- 257.11586 157.7
[M+NH4]+ 276.15696 173.1
[M+K]+ 297.08630 158.2
[M+H-H2O]+ 241.12040 148.0
[M+HCOO]- 303.12134 171.0
[M+CH3COO]- 317.13699 192.7
[M+Na-2H]- 279.09781 159.0
[M]+ 258.12259 148.2
[M]- 258.12369 148.2
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

No patent data available for this compound.