CID 4577177

1,18-dibromooctadecane

Structural Information

Molecular Formula
C18H36Br2
SMILES
C(CCCCCCCCCBr)CCCCCCCCBr
InChI
InChI=1S/C18H36Br2/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20/h1-18H2
InChIKey
WXHAZAOZCQDUFE-UHFFFAOYSA-N
Compound name
1,18-dibromooctadecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

175
Patents

410.11838 Da
Monoisotopic Mass

9.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.12566 182.0
[M+Na]+ 433.10760 188.4
[M-H]- 409.11110 184.1
[M+NH4]+ 428.15220 197.8
[M+K]+ 449.08154 170.3
[M+H-H2O]+ 393.11564 188.1
[M+HCOO]- 455.11658 194.7
[M+CH3COO]- 469.13223 224.1
[M+Na-2H]- 431.09305 184.0
[M]+ 410.11783 219.7
[M]- 410.11893 219.7
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