CID 8213

1-bromohexadecane

Structural Information

Molecular Formula
C16H33Br
SMILES
CCCCCCCCCCCCCCCCBr
InChI
InChI=1S/C16H33Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-16H2,1H3
InChIKey
HNTGIJLWHDPAFN-UHFFFAOYSA-N
Compound name
1-bromohexadecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

21
References

6025
Patents

304.17657 Da
Monoisotopic Mass

9.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.18385 174.9
[M+Na]+ 327.16579 175.4
[M+NH4]+ 322.21039 178.8
[M+K]+ 343.13973 172.0
[M-H]- 303.16929 173.8
[M+Na-2H]- 325.15124 174.2
[M]+ 304.17602 173.4
[M]- 304.17712 173.4
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