CID 17750713
886501-82-2
Structural Information
- Molecular Formula
- C9H10BrF
- SMILES
- CC1=CC(=CC(=C1F)C)CBr
- InChI
- InChI=1S/C9H10BrF/c1-6-3-8(5-10)4-7(2)9(6)11/h3-4H,5H2,1-2H3
- InChIKey
- VWOKJGNBUPEMGW-UHFFFAOYSA-N
- Compound name
- 5-(bromomethyl)-2-fluoro-1,3-dimethylbenzene
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 217.00228 | 136.8 |
[M+Na]+ | 238.98422 | 150.2 |
[M-H]- | 214.98772 | 142.7 |
[M+NH4]+ | 234.02882 | 159.9 |
[M+K]+ | 254.95816 | 138.9 |
[M+H-H2O]+ | 198.99226 | 136.9 |
[M+HCOO]- | 260.99320 | 157.9 |
[M+CH3COO]- | 275.00885 | 187.8 |
[M+Na-2H]- | 236.96967 | 143.5 |
[M]+ | 215.99445 | 155.3 |
[M]- | 215.99555 | 155.3 |
Literature stripe
No literature data available for this compound.