CID 86657039

1268336-37-3

Structural Information

Molecular Formula
C8H7BO3
SMILES
B1(C2=C(CO1)C=C(C=C2)C=O)O
InChI
InChI=1S/C8H7BO3/c10-4-6-1-2-8-7(3-6)5-12-9(8)11/h1-4,11H,5H2
InChIKey
JSNJFWSWOIPDRU-UHFFFAOYSA-N
Compound name
1-hydroxy-3H-2,1-benzoxaborole-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

162.04883 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.05611 127.4
[M+Na]+ 185.03805 137.0
[M-H]- 161.04155 131.9
[M+NH4]+ 180.08265 149.4
[M+K]+ 201.01199 135.7
[M+H-H2O]+ 145.04609 123.0
[M+HCOO]- 207.04703 149.8
[M+CH3COO]- 221.06268 173.3
[M+Na-2H]- 183.02350 134.9
[M]+ 162.04828 128.6
[M]- 162.04938 128.6
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