CID 12744

1-bromoundecane

Structural Information

Molecular Formula
C11H23Br
SMILES
CCCCCCCCCCCBr
InChI
InChI=1S/C11H23Br/c1-2-3-4-5-6-7-8-9-10-11-12/h2-11H2,1H3
InChIKey
IKPSIIAXIDAQLG-UHFFFAOYSA-N
Compound name
1-bromoundecane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

5
References

1497
Patents

234.09831 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.10559 152.8
[M+Na]+ 257.08753 161.6
[M-H]- 233.09103 154.9
[M+NH4]+ 252.13213 174.6
[M+K]+ 273.06147 150.4
[M+H-H2O]+ 217.09557 152.9
[M+HCOO]- 279.09651 172.5
[M+CH3COO]- 293.11216 192.5
[M+Na-2H]- 255.07298 158.2
[M]+ 234.09776 174.1
[M]- 234.09886 174.1
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

No patent data available for this compound.