CID 79016626

2-(3-bromophenyl)-2-cyclohexylethan-1-ol

Structural Information

Molecular Formula
C14H19BrO
SMILES
C1CCC(CC1)C(CO)C2=CC(=CC=C2)Br
InChI
InChI=1S/C14H19BrO/c15-13-8-4-7-12(9-13)14(10-16)11-5-2-1-3-6-11/h4,7-9,11,14,16H,1-3,5-6,10H2
InChIKey
WENMKCZEBNPXFK-UHFFFAOYSA-N
Compound name
2-(3-bromophenyl)-2-cyclohexylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.06192 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.06920 161.7
[M+Na]+ 305.05114 168.4
[M-H]- 281.05464 168.2
[M+NH4]+ 300.09574 180.0
[M+K]+ 321.02508 156.8
[M+H-H2O]+ 265.05918 161.1
[M+HCOO]- 327.06012 177.1
[M+CH3COO]- 341.07577 194.2
[M+Na-2H]- 303.03659 165.0
[M]+ 282.06137 174.7
[M]- 282.06247 174.7
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

No patent data available for this compound.