CID 69246071
4-iodo-2-(propan-2-yl)phenol
Structural Information
- Molecular Formula
- C9H11IO
- SMILES
- CC(C)C1=C(C=CC(=C1)I)O
- InChI
- InChI=1S/C9H11IO/c1-6(2)8-5-7(10)3-4-9(8)11/h3-6,11H,1-2H3
- InChIKey
- FUQYYBFIAPRLIR-UHFFFAOYSA-N
- Compound name
- 4-iodo-2-propan-2-ylphenol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 262.99275 | 141.3 |
[M+Na]+ | 284.97469 | 142.5 |
[M-H]- | 260.97819 | 137.1 |
[M+NH4]+ | 280.01929 | 157.2 |
[M+K]+ | 300.94863 | 146.3 |
[M+H-H2O]+ | 244.98273 | 132.7 |
[M+HCOO]- | 306.98367 | 158.2 |
[M+CH3COO]- | 320.99932 | 185.5 |
[M+Na-2H]- | 282.96014 | 133.8 |
[M]+ | 261.98492 | 138.4 |
[M]- | 261.98602 | 138.4 |