CID 46739087
1073353-99-7
Structural Information
- Molecular Formula
- C12H15BClNO4
- SMILES
- B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC(=C2)Cl)[N+](=O)[O-]
- InChI
- InChI=1S/C12H15BClNO4/c1-11(2)12(3,4)19-13(18-11)9-7-8(14)5-6-10(9)15(16)17/h5-7H,1-4H3
- InChIKey
- OGXVNFUFZOAUNA-UHFFFAOYSA-N
- Compound name
- 2-(5-chloro-2-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 284.08556 | 157.6 |
[M+Na]+ | 306.06750 | 167.0 |
[M-H]- | 282.07100 | 166.3 |
[M+NH4]+ | 301.11210 | 177.1 |
[M+K]+ | 322.04144 | 162.1 |
[M+H-H2O]+ | 266.07554 | 158.9 |
[M+HCOO]- | 328.07648 | 175.2 |
[M+CH3COO]- | 342.09213 | 192.5 |
[M+Na-2H]- | 304.05295 | 164.9 |
[M]+ | 283.07773 | 161.5 |
[M]- | 283.07883 | 161.5 |
Literature stripe
No literature data available for this compound.