CID 6500394
3-chloro-4-isopropoxyaniline
Structural Information
- Molecular Formula
- C9H12ClNO
- SMILES
- CC(C)OC1=C(C=C(C=C1)N)Cl
- InChI
- InChI=1S/C9H12ClNO/c1-6(2)12-9-4-3-7(11)5-8(9)10/h3-6H,11H2,1-2H3
- InChIKey
- YXBDJALKYPUAFT-UHFFFAOYSA-N
- Compound name
- 3-chloro-4-propan-2-yloxyaniline
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 186.06803 | 136.8 |
[M+Na]+ | 208.04997 | 150.0 |
[M+NH4]+ | 203.09457 | 146.0 |
[M+K]+ | 224.02391 | 143.4 |
[M-H]- | 184.05347 | 139.8 |
[M+Na-2H]- | 206.03542 | 143.7 |
[M]+ | 185.06020 | 139.8 |
[M]- | 185.06130 | 139.8 |
Literature stripe
No literature data available for this compound.