CID 81708726
8-bromo-4-chloro-7-methylquinoline-3-carbonitrile
Structural Information
- Molecular Formula
- C11H6BrClN2
- SMILES
- CC1=C(C2=NC=C(C(=C2C=C1)Cl)C#N)Br
- InChI
- InChI=1S/C11H6BrClN2/c1-6-2-3-8-10(13)7(4-14)5-15-11(8)9(6)12/h2-3,5H,1H3
- InChIKey
- QBMIQPSJPFIRET-UHFFFAOYSA-N
- Compound name
- 8-bromo-4-chloro-7-methylquinoline-3-carbonitrile
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 280.94756 | 147.6 |
[M+Na]+ | 302.92950 | 164.8 |
[M-H]- | 278.93300 | 152.0 |
[M+NH4]+ | 297.97410 | 166.6 |
[M+K]+ | 318.90344 | 149.9 |
[M+H-H2O]+ | 262.93754 | 141.5 |
[M+HCOO]- | 324.93848 | 162.6 |
[M+CH3COO]- | 338.95413 | 161.4 |
[M+Na-2H]- | 300.91495 | 155.0 |
[M]+ | 279.93973 | 162.3 |
[M]- | 279.94083 | 162.3 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.