CID 8208

1-bromotetradecane

Structural Information

Molecular Formula
C14H29Br
SMILES
CCCCCCCCCCCCCCBr
InChI
InChI=1S/C14H29Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2-14H2,1H3
InChIKey
KOFZTCSTGIWCQG-UHFFFAOYSA-N
Compound name
1-bromotetradecane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

12
References

4502
Patents

276.14526 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.15254 166.5
[M+Na]+ 299.13448 174.1
[M-H]- 275.13798 168.0
[M+NH4]+ 294.17908 186.6
[M+K]+ 315.10842 162.0
[M+H-H2O]+ 259.14252 165.9
[M+HCOO]- 321.14346 185.1
[M+CH3COO]- 335.15911 200.9
[M+Na-2H]- 297.11993 170.2
[M]+ 276.14471 188.8
[M]- 276.14581 188.8
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