CID 265790

1,3-dibromoadamantane

Structural Information

Molecular Formula
C10H14Br2
SMILES
C1C2CC3(CC1CC(C2)(C3)Br)Br
InChI
InChI=1S/C10H14Br2/c11-9-2-7-1-8(4-9)5-10(12,3-7)6-9/h7-8H,1-6H2
InChIKey
HLWZKLMEOVIWRK-UHFFFAOYSA-N
Compound name
1,3-dibromoadamantane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

329
Patents

291.94623 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.95351 144.7
[M+Na]+ 314.93545 151.7
[M-H]- 290.93895 145.7
[M+NH4]+ 309.98005 170.5
[M+K]+ 330.90939 138.5
[M+H-H2O]+ 274.94349 153.5
[M+HCOO]- 336.94443 149.2
[M+CH3COO]- 350.96008 156.0
[M+Na-2H]- 312.92090 156.4
[M]+ 291.94568 176.7
[M]- 291.94678 176.7
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