CID 4548516
130400-64-5
Structural Information
- Molecular Formula
- C12H12BrNO2
- SMILES
- CC(CCN1C(=O)C2=CC=CC=C2C1=O)Br
- InChI
- InChI=1S/C12H12BrNO2/c1-8(13)6-7-14-11(15)9-4-2-3-5-10(9)12(14)16/h2-5,8H,6-7H2,1H3
- InChIKey
- UAGMPSBTOFTTGY-UHFFFAOYSA-N
- Compound name
- 2-(3-bromobutyl)isoindole-1,3-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 282.01241 | 156.2 |
[M+Na]+ | 303.99435 | 168.6 |
[M-H]- | 279.99785 | 162.3 |
[M+NH4]+ | 299.03895 | 177.7 |
[M+K]+ | 319.96829 | 157.3 |
[M+H-H2O]+ | 264.00239 | 156.2 |
[M+HCOO]- | 326.00333 | 175.1 |
[M+CH3COO]- | 340.01898 | 196.9 |
[M+Na-2H]- | 301.97980 | 160.1 |
[M]+ | 281.00458 | 176.2 |
[M]- | 281.00568 | 176.2 |
Literature stripe
No literature data available for this compound.