CID 163355427

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

Structural Information

Molecular Formula
C12H14BClFNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2Cl)[N+](=O)[O-])F
InChI
InChI=1S/C12H14BClFNO4/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
AHKUFJODYQTKIT-UHFFFAOYSA-N
Compound name
2-(2-chloro-5-fluoro-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

301.06885 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.07613 158.9
[M+Na]+ 324.05807 169.2
[M-H]- 300.06157 166.5
[M+NH4]+ 319.10267 177.8
[M+K]+ 340.03201 163.8
[M+H-H2O]+ 284.06611 159.6
[M+HCOO]- 346.06705 175.5
[M+CH3COO]- 360.08270 196.4
[M+Na-2H]- 322.04352 165.2
[M]+ 301.06830 162.2
[M]- 301.06940 162.2
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.