CID 85996911
1,3-dibromo-5-hexylbenzene
Structural Information
- Molecular Formula
- C12H16Br2
- SMILES
- CCCCCCC1=CC(=CC(=C1)Br)Br
- InChI
- InChI=1S/C12H16Br2/c1-2-3-4-5-6-10-7-11(13)9-12(14)8-10/h7-9H,2-6H2,1H3
- InChIKey
- LAKHKLCGQAELGL-UHFFFAOYSA-N
- Compound name
- 1,3-dibromo-5-hexylbenzene
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 318.96916 | 150.2 |
[M+Na]+ | 340.95110 | 160.5 |
[M-H]- | 316.95460 | 156.7 |
[M+NH4]+ | 335.99570 | 169.2 |
[M+K]+ | 356.92504 | 144.5 |
[M+H-H2O]+ | 300.95914 | 158.1 |
[M+HCOO]- | 362.96008 | 166.0 |
[M+CH3COO]- | 376.97573 | 208.6 |
[M+Na-2H]- | 338.93655 | 156.2 |
[M]+ | 317.96133 | 185.4 |
[M]- | 317.96243 | 185.4 |
Literature stripe
No literature data available for this compound.