CID 75486252

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

Structural Information

Molecular Formula
C12H14BCl2NO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2[N+](=O)[O-])Cl)Cl
InChI
InChI=1S/C12H14BCl2NO4/c1-11(2)12(3,4)20-13(19-11)7-5-8(14)9(15)6-10(7)16(17)18/h5-6H,1-4H3
InChIKey
QJYLNLZEEJLHHZ-UHFFFAOYSA-N
Compound name
2-(4,5-dichloro-2-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.0393 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.04658 164.1
[M+Na]+ 340.02852 174.0
[M-H]- 316.03202 171.9
[M+NH4]+ 335.07312 182.6
[M+K]+ 356.00246 168.0
[M+H-H2O]+ 300.03656 166.2
[M+HCOO]- 362.03750 176.4
[M+CH3COO]- 376.05315 198.2
[M+Na-2H]- 338.01397 169.7
[M]+ 317.03875 169.2
[M]- 317.03985 169.2
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.