CID 344797

1-benzoyl-1-bromocyclohexane

Structural Information

Molecular Formula
C13H15BrO
SMILES
C1CCC(CC1)(C(=O)C2=CC=CC=C2)Br
InChI
InChI=1S/C13H15BrO/c14-13(9-5-2-6-10-13)12(15)11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2
InChIKey
PCGUFFXUXWUSJJ-UHFFFAOYSA-N
Compound name
(1-bromocyclohexyl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

266.03064 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.03792 154.6
[M+Na]+ 289.01986 162.5
[M-H]- 265.02336 162.8
[M+NH4]+ 284.06446 175.9
[M+K]+ 304.99380 151.9
[M+H-H2O]+ 249.02790 154.7
[M+HCOO]- 311.02884 172.1
[M+CH3COO]- 325.04449 191.6
[M+Na-2H]- 287.00531 160.7
[M]+ 266.03009 168.5
[M]- 266.03119 168.5
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