CID 46739087

1073353-99-7

Structural Information

Molecular Formula
C12H15BClNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC(=C2)Cl)[N+](=O)[O-]
InChI
InChI=1S/C12H15BClNO4/c1-11(2)12(3,4)19-13(18-11)9-7-8(14)5-6-10(9)15(16)17/h5-7H,1-4H3
InChIKey
OGXVNFUFZOAUNA-UHFFFAOYSA-N
Compound name
2-(5-chloro-2-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

283.07828 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.085556 157.6
[M+Na]+ 306.067498 167.0
[M-H]- 282.071004 166.3
[M+NH4]+ 301.112103 177.1
[M+K]+ 322.041438 162.1
[M+H-H2O]+ 266.075540 158.9
[M+HCOO]- 328.076481 175.2
[M+CH3COO]- 342.092131 192.5
[M+Na-2H]- 304.052946 164.9
[M]+ 283.07773142 161.5
[M]- 283.07882858 161.5
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