CID 155819636

Methyl 2-fluoro-6-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

Structural Information

Molecular Formula
C14H17BFNO6
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C(=C2)F)C(=O)OC)[N+](=O)[O-]
InChI
InChI=1S/C14H17BFNO6/c1-13(2)14(3,4)23-15(22-13)8-6-9(16)11(12(18)21-5)10(7-8)17(19)20/h6-7H,1-5H3
InChIKey
MUANNTHHFWVSNN-UHFFFAOYSA-N
Compound name
methyl 2-fluoro-6-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.11328 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.12056 165.3
[M+Na]+ 348.10250 174.1
[M-H]- 324.10600 173.1
[M+NH4]+ 343.14710 182.2
[M+K]+ 364.07644 171.1
[M+H-H2O]+ 308.11054 165.0
[M+HCOO]- 370.11148 185.4
[M+CH3COO]- 384.12713 202.2
[M+Na-2H]- 346.08795 170.9
[M]+ 325.11273 168.7
[M]- 325.11383 168.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.