CID 12603095

1-bromo-4-nonylbenzene

Structural Information

Molecular Formula
C15H23Br
SMILES
CCCCCCCCCC1=CC=C(C=C1)Br
InChI
InChI=1S/C15H23Br/c1-2-3-4-5-6-7-8-9-14-10-12-15(16)13-11-14/h10-13H,2-9H2,1H3
InChIKey
LVCWOFRWEVUMNY-UHFFFAOYSA-N
Compound name
1-bromo-4-nonylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

282.0983 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.10558 162.5
[M+Na]+ 305.08752 171.6
[M-H]- 281.09102 167.8
[M+NH4]+ 300.13212 182.5
[M+K]+ 321.06146 159.3
[M+H-H2O]+ 265.09556 161.9
[M+HCOO]- 327.09650 182.5
[M+CH3COO]- 341.11215 200.1
[M+Na-2H]- 303.07297 167.7
[M]+ 282.09775 183.3
[M]- 282.09885 183.3
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