CID 67002258

1-bromo-3,5-dihexylbenzene

Structural Information

Molecular Formula
C18H29Br
SMILES
CCCCCCC1=CC(=CC(=C1)Br)CCCCCC
InChI
InChI=1S/C18H29Br/c1-3-5-7-9-11-16-13-17(15-18(19)14-16)12-10-8-6-4-2/h13-15H,3-12H2,1-2H3
InChIKey
FVTKYSBFHHVYJG-UHFFFAOYSA-N
Compound name
1-bromo-3,5-dihexylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

245
Patents

324.14526 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.15254 175.6
[M+Na]+ 347.13448 184.3
[M-H]- 323.13798 180.6
[M+NH4]+ 342.17908 194.2
[M+K]+ 363.10842 171.2
[M+H-H2O]+ 307.14252 174.5
[M+HCOO]- 369.14346 194.6
[M+CH3COO]- 383.15911 209.5
[M+Na-2H]- 345.11993 178.4
[M]+ 324.14471 197.7
[M]- 324.14581 197.7
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