CID 123131811
3-bromo-5-chloro-6-ethylpyrazine-2-carbonitrile
Structural Information
- Molecular Formula
- C7H5BrClN3
- SMILES
- CCC1=C(N=C(C(=N1)C#N)Br)Cl
- InChI
- InChI=1S/C7H5BrClN3/c1-2-4-7(9)12-6(8)5(3-10)11-4/h2H2,1H3
- InChIKey
- HCMXNBIQKDSVNF-UHFFFAOYSA-N
- Compound name
- 3-bromo-5-chloro-6-ethylpyrazine-2-carbonitrile
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 245.94283 | 131.8 |
[M+Na]+ | 267.92477 | 147.9 |
[M-H]- | 243.92827 | 134.2 |
[M+NH4]+ | 262.96937 | 149.7 |
[M+K]+ | 283.89871 | 135.3 |
[M+H-H2O]+ | 227.93281 | 124.8 |
[M+HCOO]- | 289.93375 | 146.8 |
[M+CH3COO]- | 303.94940 | 200.3 |
[M+Na-2H]- | 265.91022 | 139.6 |
[M]+ | 244.93500 | 146.2 |
[M]- | 244.93610 | 146.2 |