CID 16218395
1072951-86-0
Structural Information
- Molecular Formula
- C10H12BBrO4
- SMILES
- B(C1=CC(=CC(=C1OC(C)C)Br)C=O)(O)O
- InChI
- InChI=1S/C10H12BBrO4/c1-6(2)16-10-8(11(14)15)3-7(5-13)4-9(10)12/h3-6,14-15H,1-2H3
- InChIKey
- JDRHFOMNQQEZJZ-UHFFFAOYSA-N
- Compound name
- (3-bromo-5-formyl-2-propan-2-yloxyphenyl)boronic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 287.00848 | 152.6 |
[M+Na]+ | 308.99042 | 163.2 |
[M-H]- | 284.99392 | 156.5 |
[M+NH4]+ | 304.03502 | 170.9 |
[M+K]+ | 324.96436 | 152.5 |
[M+H-H2O]+ | 268.99846 | 152.4 |
[M+HCOO]- | 330.99940 | 170.0 |
[M+CH3COO]- | 345.01505 | 194.0 |
[M+Na-2H]- | 306.97587 | 155.4 |
[M]+ | 286.00065 | 172.5 |
[M]- | 286.00175 | 172.5 |
Literature stripe
No literature data available for this compound.