CID 79018226
1261775-99-8
Structural Information
- Molecular Formula
- C8H5Br2ClO
- SMILES
- C1=CC(=C(C=C1Br)C(=O)CBr)Cl
- InChI
- InChI=1S/C8H5Br2ClO/c9-4-8(12)6-3-5(10)1-2-7(6)11/h1-3H,4H2
- InChIKey
- CPYOJYNOGRYUIQ-UHFFFAOYSA-N
- Compound name
- 2-bromo-1-(5-bromo-2-chlorophenyl)ethanone
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 310.84685 | 140.3 |
[M+Na]+ | 332.82879 | 153.0 |
[M-H]- | 308.83229 | 147.4 |
[M+NH4]+ | 327.87339 | 160.1 |
[M+K]+ | 348.80273 | 136.0 |
[M+H-H2O]+ | 292.83683 | 149.4 |
[M+HCOO]- | 354.83777 | 153.1 |
[M+CH3COO]- | 368.85342 | 203.8 |
[M+Na-2H]- | 330.81424 | 147.0 |
[M]+ | 309.83902 | 175.9 |
[M]- | 309.84012 | 175.9 |