CID 2756899

2-bromo-1-(4-cyclohexylphenyl)ethanone

Structural Information

Molecular Formula
C14H17BrO
SMILES
C1CCC(CC1)C2=CC=C(C=C2)C(=O)CBr
InChI
InChI=1S/C14H17BrO/c15-10-14(16)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h6-9,11H,1-5,10H2
InChIKey
JMCBGXFQNHCVBY-UHFFFAOYSA-N
Compound name
2-bromo-1-(4-cyclohexylphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

280.0463 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.05358 159.4
[M+Na]+ 303.03552 166.9
[M-H]- 279.03902 167.3
[M+NH4]+ 298.08012 178.5
[M+K]+ 319.00946 155.6
[M+H-H2O]+ 263.04356 158.7
[M+HCOO]- 325.04450 176.5
[M+CH3COO]- 339.06015 195.8
[M+Na-2H]- 301.02097 163.3
[M]+ 280.04575 173.5
[M]- 280.04685 173.5
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