CID 68402620

1-bromo-4-(1-methoxycyclohexyl)benzene

Structural Information

Molecular Formula
C13H17BrO
SMILES
COC1(CCCCC1)C2=CC=C(C=C2)Br
InChI
InChI=1S/C13H17BrO/c1-15-13(9-3-2-4-10-13)11-5-7-12(14)8-6-11/h5-8H,2-4,9-10H2,1H3
InChIKey
QLANOJZUYWCJQG-UHFFFAOYSA-N
Compound name
1-bromo-4-(1-methoxycyclohexyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

268.0463 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.053576 154.7
[M+Na]+ 291.035518 163.5
[M-H]- 267.039024 163.2
[M+NH4]+ 286.080123 176.4
[M+K]+ 307.009458 153.0
[M+H-H2O]+ 251.043560 154.8
[M+HCOO]- 313.044501 173.0
[M+CH3COO]- 327.060151 192.6
[M+Na-2H]- 289.020966 161.3
[M]+ 268.04575142 170.3
[M]- 268.04684858 170.3
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