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

1503
Patents

234.09831 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.105586 152.8
[M+Na]+ 257.087528 161.6
[M-H]- 233.091034 154.9
[M+NH4]+ 252.132133 174.6
[M+K]+ 273.061468 150.4
[M+H-H2O]+ 217.095570 152.9
[M+HCOO]- 279.096511 172.5
[M+CH3COO]- 293.112161 192.5
[M+Na-2H]- 255.072976 158.2
[M]+ 234.09776142 174.1
[M]- 234.09885858 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

literature stripe

Patent stripe

patents stripe