CID 3827903

79832-89-6

Structural Information

Molecular Formula
C17H25Br
SMILES
CCCCCC1CCC(CC1)C2=CC=C(C=C2)Br
InChI
InChI=1S/C17H25Br/c1-2-3-4-5-14-6-8-15(9-7-14)16-10-12-17(18)13-11-16/h10-15H,2-9H2,1H3
InChIKey
QUWHOIKFJBTGHZ-UHFFFAOYSA-N
Compound name
1-bromo-4-(4-pentylcyclohexyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

276
Patents

308.11395 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.12123 170.6
[M+Na]+ 331.10317 177.8
[M-H]- 307.10667 178.2
[M+NH4]+ 326.14777 189.1
[M+K]+ 347.07711 165.5
[M+H-H2O]+ 291.11121 169.5
[M+HCOO]- 353.11215 187.3
[M+CH3COO]- 367.12780 203.4
[M+Na-2H]- 329.08862 173.3
[M]+ 308.11340 185.9
[M]- 308.11450 185.9
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