CID 587250
3-fluoro-4-hydroxybenzaldehyde
Structural Information
- Molecular Formula
- C7H5FO2
- SMILES
- C1=CC(=C(C=C1C=O)F)O
- InChI
- InChI=1S/C7H5FO2/c8-6-3-5(4-9)1-2-7(6)10/h1-4,10H
- InChIKey
- QSBHJTCAPWOIIE-UHFFFAOYSA-N
- Compound name
- 3-fluoro-4-hydroxybenzaldehyde
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 141.03464 | 121.5 |
[M+Na]+ | 163.01658 | 131.5 |
[M-H]- | 139.02008 | 123.4 |
[M+NH4]+ | 158.06118 | 142.9 |
[M+K]+ | 178.99052 | 129.3 |
[M+H-H2O]+ | 123.02462 | 115.9 |
[M+HCOO]- | 185.02556 | 144.9 |
[M+CH3COO]- | 199.04121 | 170.7 |
[M+Na-2H]- | 161.00203 | 128.5 |
[M]+ | 140.02681 | 120.6 |
[M]- | 140.02791 | 120.6 |