CID 11845750

905710-80-7

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

126
Patents

159.04916 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.05644 129.9
[M+Na]+ 182.03838 141.9
[M-H]- 158.04188 133.6
[M+NH4]+ 177.08298 149.9
[M+K]+ 198.01232 138.1
[M+H-H2O]+ 142.04642 118.7
[M+HCOO]- 204.04736 148.5
[M+CH3COO]- 218.06301 143.1
[M+Na-2H]- 180.02383 136.8
[M]+ 159.04861 125.3
[M]- 159.04971 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

literature stripe

Patent stripe

patents stripe