CID 12838
1,2,4,5-tetracyanobenzene
Structural Information
- Molecular Formula
- C10H2N4
- SMILES
- C1=C(C(=CC(=C1C#N)C#N)C#N)C#N
- InChI
- InChI=1S/C10H2N4/c11-3-7-1-8(4-12)10(6-14)2-9(7)5-13/h1-2H
- InChIKey
- FAAXSAZENACQBT-UHFFFAOYSA-N
- Compound name
- benzene-1,2,4,5-tetracarbonitrile
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 179.03522 | 161.5 |
[M+Na]+ | 201.01716 | 166.9 |
[M-H]- | 177.02066 | 165.4 |
[M+NH4]+ | 196.06176 | 165.6 |
[M+K]+ | 216.99110 | 164.7 |
[M+H-H2O]+ | 161.02520 | 153.4 |
[M+HCOO]- | 223.02614 | 163.4 |
[M+CH3COO]- | 237.04179 | 245.8 |
[M+Na-2H]- | 199.00261 | 159.2 |
[M]+ | 178.02739 | 156.3 |
[M]- | 178.02849 | 156.3 |