CID 66469055

[4-(bromomethyl)cyclohexyl]benzene

Structural Information

Molecular Formula
C13H17Br
SMILES
C1CC(CCC1CBr)C2=CC=CC=C2
InChI
InChI=1S/C13H17Br/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-5,11,13H,6-10H2
InChIKey
FYQQEXCPRJLYCX-UHFFFAOYSA-N
Compound name
[4-(bromomethyl)cyclohexyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

252.05136 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.05864 152.7
[M+Na]+ 275.04058 160.8
[M-H]- 251.04408 160.8
[M+NH4]+ 270.08518 173.2
[M+K]+ 291.01452 149.5
[M+H-H2O]+ 235.04862 152.4
[M+HCOO]- 297.04956 170.8
[M+CH3COO]- 311.06521 191.2
[M+Na-2H]- 273.02603 158.4
[M]+ 252.05081 166.5
[M]- 252.05191 166.5
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