CID 3415762
3-chloro-5-methoxy-4-(propan-2-yloxy)benzonitrile
Structural Information
- Molecular Formula
- C11H12ClNO2
- SMILES
- CC(C)OC1=C(C=C(C=C1Cl)C#N)OC
- InChI
- InChI=1S/C11H12ClNO2/c1-7(2)15-11-9(12)4-8(6-13)5-10(11)14-3/h4-5,7H,1-3H3
- InChIKey
- WMMYRTPTGMOELR-UHFFFAOYSA-N
- Compound name
- 3-chloro-5-methoxy-4-propan-2-yloxybenzonitrile
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 226.06293 | 145.0 |
[M+Na]+ | 248.04487 | 156.9 |
[M-H]- | 224.04837 | 149.0 |
[M+NH4]+ | 243.08947 | 163.0 |
[M+K]+ | 264.01881 | 153.1 |
[M+H-H2O]+ | 208.05291 | 134.0 |
[M+HCOO]- | 270.05385 | 161.0 |
[M+CH3COO]- | 284.06950 | 201.9 |
[M+Na-2H]- | 246.03032 | 148.5 |
[M]+ | 225.05510 | 145.5 |
[M]- | 225.05620 | 145.5 |
Literature stripe
No literature data available for this compound.