CID 63094610
4-chloro-2-(propan-2-yloxy)benzonitrile
Structural Information
- Molecular Formula
- C10H10ClNO
- SMILES
- CC(C)OC1=C(C=CC(=C1)Cl)C#N
- InChI
- InChI=1S/C10H10ClNO/c1-7(2)13-10-5-9(11)4-3-8(10)6-12/h3-5,7H,1-2H3
- InChIKey
- FKCYFLVYSUFPMW-UHFFFAOYSA-N
- Compound name
- 4-chloro-2-propan-2-yloxybenzonitrile
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 196.05237 | 139.6 |
[M+Na]+ | 218.03431 | 151.2 |
[M-H]- | 194.03781 | 143.3 |
[M+NH4]+ | 213.07891 | 158.4 |
[M+K]+ | 234.00825 | 146.8 |
[M+H-H2O]+ | 178.04235 | 128.7 |
[M+HCOO]- | 240.04329 | 155.6 |
[M+CH3COO]- | 254.05894 | 196.4 |
[M+Na-2H]- | 216.01976 | 144.0 |
[M]+ | 195.04454 | 138.1 |
[M]- | 195.04564 | 138.1 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.