CID 58404050

947162-60-9

Structural Information

Molecular Formula
C8H6BNO2
SMILES
B1(C2=C(CO1)C=CC(=C2)C#N)O
InChI
InChI=1S/C8H6BNO2/c10-4-6-1-2-7-5-12-9(11)8(7)3-6/h1-3,11H,5H2
InChIKey
BVHJQLCNDBJUEC-UHFFFAOYSA-N
Compound name
1-hydroxy-3H-2,1-benzoxaborole-6-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

159.04916 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.056436 129.9
[M+Na]+ 182.038378 141.9
[M-H]- 158.041884 133.6
[M+NH4]+ 177.082983 149.9
[M+K]+ 198.012318 138.1
[M+H-H2O]+ 142.046420 118.7
[M+HCOO]- 204.047361 148.5
[M+CH3COO]- 218.063011 143.1
[M+Na-2H]- 180.023826 136.8
[M]+ 159.04861142 125.3
[M]- 159.04970858 125.3
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