CID 169955

1,14-dibromotetradecane

Structural Information

Molecular Formula
C14H28Br2
SMILES
C(CCCCCCCBr)CCCCCCBr
InChI
InChI=1S/C14H28Br2/c15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16/h1-14H2
InChIKey
SDENLXLNLFKRAR-UHFFFAOYSA-N
Compound name
1,14-dibromotetradecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

254
Patents

354.0558 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.06308 166.1
[M+Na]+ 377.04502 173.8
[M-H]- 353.04852 168.8
[M+NH4]+ 372.08962 183.6
[M+K]+ 393.01896 156.6
[M+H-H2O]+ 337.05306 172.9
[M+HCOO]- 399.05400 179.9
[M+CH3COO]- 413.06965 215.2
[M+Na-2H]- 375.03047 170.0
[M]+ 354.05525 202.7
[M]- 354.05635 202.7
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