CID 167736314

En300-44795014

Structural Information

Molecular Formula
C13H16BF2NO5
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2)OC(F)F)[N+](=O)[O-]
InChI
InChI=1S/C13H16BF2NO5/c1-12(2)13(3,4)22-14(21-12)8-5-9(17(18)19)7-10(6-8)20-11(15)16/h5-7,11H,1-4H3
InChIKey
KAZKUFNDLTXIME-UHFFFAOYSA-N
Compound name
2-[3-(difluoromethoxy)-5-nitrophenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.10895 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.11623 163.0
[M+Na]+ 338.09817 171.2
[M-H]- 314.10167 169.1
[M+NH4]+ 333.14277 180.1
[M+K]+ 354.07211 168.0
[M+H-H2O]+ 298.10621 161.5
[M+HCOO]- 360.10715 182.0
[M+CH3COO]- 374.12280 200.1
[M+Na-2H]- 336.08362 168.5
[M]+ 315.10840 163.9
[M]- 315.10950 163.9
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.