CID 17750268

1256359-10-0

Structural Information

Molecular Formula
C13H18BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)C)[N+](=O)[O-]
InChI
InChI=1S/C13H18BNO4/c1-9-6-7-10(11(8-9)15(16)17)14-18-12(2,3)13(4,5)19-14/h6-8H,1-5H3
InChIKey
RDJAHMNUDOAUSC-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-(4-methyl-2-nitrophenyl)-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

263.13287 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.14015 154.1
[M+Na]+ 286.12209 162.9
[M-H]- 262.12559 163.1
[M+NH4]+ 281.16669 173.8
[M+K]+ 302.09603 159.4
[M+H-H2O]+ 246.13013 154.6
[M+HCOO]- 308.13107 176.2
[M+CH3COO]- 322.14672 191.8
[M+Na-2H]- 284.10754 161.7
[M]+ 263.13232 156.5
[M]- 263.13342 156.5
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

patents stripe