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

12399
Patents

248.11395 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.121226 157.4
[M+Na]+ 271.103168 165.8
[M-H]- 247.106674 159.3
[M+NH4]+ 266.147773 178.6
[M+K]+ 287.077108 154.3
[M+H-H2O]+ 231.111210 157.2
[M+HCOO]- 293.112151 176.7
[M+CH3COO]- 307.127801 195.3
[M+Na-2H]- 269.088616 162.3
[M]+ 248.11340142 179.0
[M]- 248.11449858 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

literature stripe

Patent stripe

patents stripe