CID 13548369

1-bromo-4-(trans-4-ethylcyclohexyl)benzene

Structural Information

Molecular Formula
C14H19Br
SMILES
CCC1CCC(CC1)C2=CC=C(C=C2)Br
InChI
InChI=1S/C14H19Br/c1-2-11-3-5-12(6-4-11)13-7-9-14(15)10-8-13/h7-12H,2-6H2,1H3
InChIKey
UZNPLXSOLSAKGB-UHFFFAOYSA-N
Compound name
1-bromo-4-(4-ethylcyclohexyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

266.06702 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.07430 156.8
[M+Na]+ 289.05624 165.3
[M-H]- 265.05974 165.1
[M+NH4]+ 284.10084 177.0
[M+K]+ 305.03018 153.8
[M+H-H2O]+ 249.06428 156.4
[M+HCOO]- 311.06522 174.6
[M+CH3COO]- 325.08087 195.0
[M+Na-2H]- 287.04169 161.3
[M]+ 266.06647 171.3
[M]- 266.06757 171.3
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