CID 98234

2-bromotridecane

Structural Information

Molecular Formula
C13H27Br
SMILES
CCCCCCCCCCCC(C)Br
InChI
InChI=1S/C13H27Br/c1-3-4-5-6-7-8-9-10-11-12-13(2)14/h13H,3-12H2,1-2H3
InChIKey
XNCUZDYTCKIDEJ-UHFFFAOYSA-N
Compound name
2-bromotridecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

262.1296 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.136876 163.1
[M+Na]+ 285.118818 170.8
[M-H]- 261.122324 164.9
[M+NH4]+ 280.163423 183.7
[M+K]+ 301.092758 159.4
[M+H-H2O]+ 245.126860 162.7
[M+HCOO]- 307.127801 181.1
[M+CH3COO]- 321.143451 198.8
[M+Na-2H]- 283.104266 166.1
[M]+ 262.12905142 184.4
[M]- 262.13014858 184.4
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

patents stripe