CID 13000

1-bromotridecane

Structural Information

Molecular Formula
C13H27Br
SMILES
CCCCCCCCCCCCCBr
InChI
InChI=1S/C13H27Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h2-13H2,1H3
InChIKey
BFDNZQUBFCYTIC-UHFFFAOYSA-N
Compound name
1-bromotridecane
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

854
Patents

262.1296 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.136876 161.9
[M+Na]+ 285.118818 170.0
[M-H]- 261.122324 163.7
[M+NH4]+ 280.163423 182.6
[M+K]+ 301.092758 158.2
[M+H-H2O]+ 245.126860 161.6
[M+HCOO]- 307.127801 180.9
[M+CH3COO]- 321.143451 198.1
[M+Na-2H]- 283.104266 166.2
[M]+ 262.12905142 183.9
[M]- 262.13014858 183.9
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