CID 96941
4,4'-oxydiphthalonitrile
Structural Information
- Molecular Formula
- C16H6N4O
- SMILES
- C1=CC(=C(C=C1OC2=CC(=C(C=C2)C#N)C#N)C#N)C#N
- InChI
- InChI=1S/C16H6N4O/c17-7-11-1-3-15(5-13(11)9-19)21-16-4-2-12(8-18)14(6-16)10-20/h1-6H
- InChIKey
- XMTHKRUBGGLPJA-UHFFFAOYSA-N
- Compound name
- 4-(3,4-dicyanophenoxy)benzene-1,2-dicarbonitrile
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 271.06145 | 167.6 |
[M+Na]+ | 293.04339 | 173.2 |
[M-H]- | 269.04689 | 171.3 |
[M+NH4]+ | 288.08799 | 170.9 |
[M+K]+ | 309.01733 | 169.8 |
[M+H-H2O]+ | 253.05143 | 159.2 |
[M+HCOO]- | 315.05237 | 169.2 |
[M+CH3COO]- | 329.06802 | 168.2 |
[M+Na-2H]- | 291.02884 | 164.8 |
[M]+ | 270.05362 | 162.4 |
[M]- | 270.05472 | 162.4 |