CID 58020114

1158236-73-7

Structural Information

Molecular Formula
C12H16BNO5
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2)O)[N+](=O)[O-]
InChI
InChI=1S/C12H16BNO5/c1-11(2)12(3,4)19-13(18-11)8-5-9(14(16)17)7-10(15)6-8/h5-7,15H,1-4H3
InChIKey
GPJJLGWCLPZLJE-UHFFFAOYSA-N
Compound name
3-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

265.11215 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.11943 153.0
[M+Na]+ 288.10137 161.5
[M-H]- 264.10487 160.8
[M+NH4]+ 283.14597 171.7
[M+K]+ 304.07531 157.9
[M+H-H2O]+ 248.10941 153.8
[M+HCOO]- 310.11035 174.0
[M+CH3COO]- 324.12600 188.3
[M+Na-2H]- 286.08682 161.0
[M]+ 265.11160 154.7
[M]- 265.11270 154.7
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