CID 2752645
1,4-bis(bromomethyl)-2,3,5,6-tetramethylbenzene
Structural Information
- Molecular Formula
- C12H16Br2
- SMILES
- CC1=C(C(=C(C(=C1CBr)C)C)CBr)C
- InChI
- InChI=1S/C12H16Br2/c1-7-8(2)12(6-14)10(4)9(3)11(7)5-13/h5-6H2,1-4H3
- InChIKey
- OREPDRBSWICSCF-UHFFFAOYSA-N
- Compound name
- 1,4-bis(bromomethyl)-2,3,5,6-tetramethylbenzene
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 318.96916 | 147.4 |
[M+Na]+ | 340.95110 | 159.7 |
[M-H]- | 316.95460 | 154.7 |
[M+NH4]+ | 335.99570 | 167.0 |
[M+K]+ | 356.92504 | 143.6 |
[M+H-H2O]+ | 300.95914 | 155.4 |
[M+HCOO]- | 362.96008 | 163.0 |
[M+CH3COO]- | 376.97573 | 211.2 |
[M+Na-2H]- | 338.93655 | 151.9 |
[M]+ | 317.96133 | 183.2 |
[M]- | 317.96243 | 183.2 |