CID 8173

1-bromodecane

Structural Information

Molecular Formula
C10H21Br
SMILES
CCCCCCCCCCBr
InChI
InChI=1S/C10H21Br/c1-2-3-4-5-6-7-8-9-10-11/h2-10H2,1H3
InChIKey
MYMSJFSOOQERIO-UHFFFAOYSA-N
Compound name
1-bromodecane
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

24
References

8051
Patents

220.08266 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.089936 148.2
[M+Na]+ 243.071878 157.5
[M-H]- 219.075384 150.5
[M+NH4]+ 238.116483 170.5
[M+K]+ 259.045818 146.5
[M+H-H2O]+ 203.079920 148.5
[M+HCOO]- 265.080861 168.2
[M+CH3COO]- 279.096511 189.7
[M+Na-2H]- 241.057326 154.2
[M]+ 220.08211142 169.2
[M]- 220.08320858 169.2
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