CID 98299

2-bromododecane

Structural Information

Molecular Formula
C12H25Br
SMILES
CCCCCCCCCCC(C)Br
InChI
InChI=1S/C12H25Br/c1-3-4-5-6-7-8-9-10-11-12(2)13/h12H,3-11H2,1-2H3
InChIKey
GIUUCQVKMWBSRT-UHFFFAOYSA-N
Compound name
2-bromododecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

249
Patents

248.11395 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.12123 158.5
[M+Na]+ 271.10317 166.6
[M-H]- 247.10667 160.5
[M+NH4]+ 266.14777 179.6
[M+K]+ 287.07711 155.5
[M+H-H2O]+ 231.11121 158.3
[M+HCOO]- 293.11215 176.8
[M+CH3COO]- 307.12780 196.0
[M+Na-2H]- 269.08862 162.1
[M]+ 248.11340 179.5
[M]- 248.11450 179.5
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