CID 19022

1-bromoheptadecane

Structural Information

Molecular Formula
C17H35Br
SMILES
CCCCCCCCCCCCCCCCCBr
InChI
InChI=1S/C17H35Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h2-17H2,1H3
InChIKey
HHSDZLLPIXMEIU-UHFFFAOYSA-N
Compound name
1-bromoheptadecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

533
Patents

318.1922 Da
Monoisotopic Mass

9.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.19948 180.0
[M+Na]+ 341.18142 186.4
[M-H]- 317.18492 180.9
[M+NH4]+ 336.22602 198.5
[M+K]+ 357.15536 173.5
[M+H-H2O]+ 301.18946 178.8
[M+HCOO]- 363.19040 197.6
[M+CH3COO]- 377.20605 209.3
[M+Na-2H]- 339.16687 182.1
[M]+ 318.19165 203.3
[M]- 318.19275 203.3
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