CID 2776172
100275-94-3
Structural Information
- Molecular Formula
- C9H7NO3
- SMILES
- C1COC2=C(O1)C=CC(=C2)N=C=O
- InChI
- InChI=1S/C9H7NO3/c11-6-10-7-1-2-8-9(5-7)13-4-3-12-8/h1-2,5H,3-4H2
- InChIKey
- OGVYMEFCSKVNQH-UHFFFAOYSA-N
- Compound name
- 6-isocyanato-2,3-dihydro-1,4-benzodioxine
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 178.04987 | 131.8 |
[M+Na]+ | 200.03181 | 139.9 |
[M-H]- | 176.03531 | 139.0 |
[M+NH4]+ | 195.07641 | 150.6 |
[M+K]+ | 216.00575 | 140.8 |
[M+H-H2O]+ | 160.03985 | 125.5 |
[M+HCOO]- | 222.04079 | 155.2 |
[M+CH3COO]- | 236.05644 | 182.0 |
[M+Na-2H]- | 198.01726 | 143.2 |
[M]+ | 177.04204 | 133.3 |
[M]- | 177.04314 | 133.3 |
Literature stripe
No literature data available for this compound.