CID 165998760
5-iodo-2-isocyanatobenzonitrile
Structural Information
- Molecular Formula
- C8H3IN2O
- SMILES
- C1=CC(=C(C=C1I)C#N)N=C=O
- InChI
- InChI=1S/C8H3IN2O/c9-7-1-2-8(11-5-12)6(3-7)4-10/h1-3H
- InChIKey
- GBRFNGONYKUSTD-UHFFFAOYSA-N
- Compound name
- 5-iodo-2-isocyanatobenzonitrile
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 270.93630 | 143.4 |
[M+Na]+ | 292.91824 | 148.1 |
[M-H]- | 268.92174 | 142.0 |
[M+NH4]+ | 287.96284 | 158.0 |
[M+K]+ | 308.89218 | 150.6 |
[M+H-H2O]+ | 252.92628 | 128.1 |
[M+HCOO]- | 314.92722 | 162.2 |
[M+CH3COO]- | 328.94287 | 201.3 |
[M+Na-2H]- | 290.90369 | 139.1 |
[M]+ | 269.92847 | 137.4 |
[M]- | 269.92957 | 137.4 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.