CID 18766

1,12-dibromododecane

Structural Information

Molecular Formula
C12H24Br2
SMILES
C(CCCCCCBr)CCCCCBr
InChI
InChI=1S/C12H24Br2/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h1-12H2
InChIKey
ZJJATABWMGVVRZ-UHFFFAOYSA-N
Compound name
1,12-dibromododecane
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

5
References

2024
Patents

326.02448 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.031756 158.0
[M+Na]+ 349.013698 166.4
[M-H]- 325.017204 161.1
[M+NH4]+ 344.058303 176.5
[M+K]+ 364.987638 149.7
[M+H-H2O]+ 309.021740 165.2
[M+HCOO]- 371.022681 172.4
[M+CH3COO]- 385.038331 210.7
[M+Na-2H]- 346.999146 162.9
[M]+ 326.02393142 194.1
[M]- 326.02502858 194.1
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