CID 2414285
3-bromo-5-methoxy-4-propoxybenzoic acid
Structural Information
- Molecular Formula
- C11H13BrO4
- SMILES
- CCCOC1=C(C=C(C=C1Br)C(=O)O)OC
- InChI
- InChI=1S/C11H13BrO4/c1-3-4-16-10-8(12)5-7(11(13)14)6-9(10)15-2/h5-6H,3-4H2,1-2H3,(H,13,14)
- InChIKey
- YKKBTLMNNJBDIR-UHFFFAOYSA-N
- Compound name
- 3-bromo-5-methoxy-4-propoxybenzoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 289.00701 | 153.1 |
[M+Na]+ | 310.98895 | 164.4 |
[M-H]- | 286.99245 | 158.3 |
[M+NH4]+ | 306.03355 | 172.1 |
[M+K]+ | 326.96289 | 154.1 |
[M+H-H2O]+ | 270.99699 | 152.7 |
[M+HCOO]- | 332.99793 | 172.8 |
[M+CH3COO]- | 347.01358 | 196.0 |
[M+Na-2H]- | 308.97440 | 157.5 |
[M]+ | 287.99918 | 175.5 |
[M]- | 288.00028 | 175.5 |
Literature stripe
Patent stripe
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