CID 61948
1,2-dibromo-2,4-dicyanobutane
Structural Information
- Molecular Formula
- C6H6Br2N2
- SMILES
- C(CC(CBr)(C#N)Br)C#N
- InChI
- InChI=1S/C6H6Br2N2/c7-4-6(8,5-10)2-1-3-9/h1-2,4H2
- InChIKey
- DHVLDKHFGIVEIP-UHFFFAOYSA-N
- Compound name
- 2-bromo-2-(bromomethyl)pentanedinitrile
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 264.89705 | 128.9 |
[M+Na]+ | 286.87899 | 140.4 |
[M-H]- | 262.88249 | 130.0 |
[M+NH4]+ | 281.92359 | 142.2 |
[M+K]+ | 302.85293 | 128.2 |
[M+H-H2O]+ | 246.88703 | 125.3 |
[M+HCOO]- | 308.88797 | 142.8 |
[M+CH3COO]- | 322.90362 | 223.9 |
[M+Na-2H]- | 284.86444 | 134.7 |
[M]+ | 263.88922 | 144.7 |
[M]- | 263.89032 | 144.7 |