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
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 |