CID 8919

1-bromododecane

Structural Information

Molecular Formula
C12H25Br
SMILES
CCCCCCCCCCCCBr
InChI
InChI=1S/C12H25Br/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-12H2,1H3
InChIKey
PBLNBZIONSLZBU-UHFFFAOYSA-N
Compound name
1-bromododecane
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

22
References

12337
Patents

248.11395 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.12123 157.4
[M+Na]+ 271.10317 165.8
[M-H]- 247.10667 159.3
[M+NH4]+ 266.14777 178.6
[M+K]+ 287.07711 154.3
[M+H-H2O]+ 231.11121 157.2
[M+HCOO]- 293.11215 176.7
[M+CH3COO]- 307.12780 195.3
[M+Na-2H]- 269.08862 162.3
[M]+ 248.11340 179.0
[M]- 248.11450 179.0
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.