CID 521177

1,16-dibromohexadecane

Structural Information

Molecular Formula
C16H32Br2
SMILES
C(CCCCCCCCBr)CCCCCCCBr
InChI
InChI=1S/C16H32Br2/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18/h1-16H2
InChIKey
OTFBUFWEFKVFFR-UHFFFAOYSA-N
Compound name
1,16-dibromohexadecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

193
Patents

382.08707 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.09435 174.1
[M+Na]+ 405.07629 181.1
[M-H]- 381.07979 176.5
[M+NH4]+ 400.12089 190.8
[M+K]+ 421.05023 163.5
[M+H-H2O]+ 365.08433 180.6
[M+HCOO]- 427.08527 187.3
[M+CH3COO]- 441.10092 219.7
[M+Na-2H]- 403.06174 177.1
[M]+ 382.08652 211.2
[M]- 382.08762 211.2
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