CID 12506027
18508-46-8
Structural Information
- Molecular Formula
- C11H14BrCl
- SMILES
- CC1=C(C(=C(C(=C1CCl)C)C)Br)C
- InChI
- InChI=1S/C11H14BrCl/c1-6-8(3)11(12)9(4)7(2)10(6)5-13/h5H2,1-4H3
- InChIKey
- DIXLGKHMRAJXCZ-UHFFFAOYSA-N
- Compound name
- 1-bromo-4-(chloromethyl)-2,3,5,6-tetramethylbenzene
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 261.00401 | 145.5 |
[M+Na]+ | 282.98595 | 160.8 |
[M-H]- | 258.98945 | 152.8 |
[M+NH4]+ | 278.03055 | 168.4 |
[M+K]+ | 298.95989 | 147.4 |
[M+H-H2O]+ | 242.99399 | 147.2 |
[M+HCOO]- | 304.99493 | 162.5 |
[M+CH3COO]- | 319.01058 | 196.6 |
[M+Na-2H]- | 280.97140 | 150.2 |
[M]+ | 259.99618 | 168.2 |
[M]- | 259.99728 | 168.2 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.