CID 14843414

1-bromohexadecan-2-one

Structural Information

Molecular Formula
C16H31BrO
SMILES
CCCCCCCCCCCCCCC(=O)CBr
InChI
InChI=1S/C16H31BrO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(18)15-17/h2-15H2,1H3
InChIKey
ICZYLTOWIBJLIK-UHFFFAOYSA-N
Compound name
1-bromohexadecan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

318.15582 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.16310 175.8
[M+Na]+ 341.14504 175.6
[M+NH4]+ 336.18964 178.9
[M+K]+ 357.11898 173.4
[M-H]- 317.14854 173.8
[M+Na-2H]- 339.13049 174.3
[M]+ 318.15527 173.9
[M]- 318.15637 173.9
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