CID 15531
Bromoxynil
Structural Information
- Molecular Formula
- C7H3Br2NO
- SMILES
- C1=C(C=C(C(=C1Br)O)Br)C#N
- InChI
- InChI=1S/C7H3Br2NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H
- InChIKey
- UPMXNNIRAGDFEH-UHFFFAOYSA-N
- Compound name
- 3,5-dibromo-4-hydroxybenzonitrile
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 275.86543 | 125.1 |
[M+Na]+ | 297.84737 | 138.9 |
[M-H]- | 273.85087 | 128.8 |
[M+NH4]+ | 292.89197 | 142.8 |
[M+K]+ | 313.82131 | 123.0 |
[M+H-H2O]+ | 257.85541 | 127.1 |
[M+HCOO]- | 319.85635 | 142.3 |
[M+CH3COO]- | 333.87200 | 207.7 |
[M+Na-2H]- | 295.83282 | 132.6 |
[M]+ | 274.85760 | 151.4 |
[M]- | 274.85870 | 151.4 |