CID 72221139

2-(2,5-difluoro-4-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C12H14BF2NO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2F)[N+](=O)[O-])F
InChI
InChI=1S/C12H14BF2NO4/c1-11(2)12(3,4)20-13(19-11)7-5-9(15)10(16(17)18)6-8(7)14/h5-6H,1-4H3
InChIKey
CFWJZXIYRLMSBJ-UHFFFAOYSA-N
Compound name
2-(2,5-difluoro-4-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.0984 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.10568 154.2
[M+Na]+ 308.08762 164.3
[M-H]- 284.09112 160.9
[M+NH4]+ 303.13222 173.0
[M+K]+ 324.06156 160.2
[M+H-H2O]+ 268.09566 153.2
[M+HCOO]- 330.09660 174.4
[M+CH3COO]- 344.11225 195.4
[M+Na-2H]- 306.07307 160.6
[M]+ 285.09785 154.4
[M]- 285.09895 154.4
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.