CID 53473252

1195621-75-0

Structural Information

Molecular Formula
C8H7BO3
SMILES
B1(C2=C(CO1)C=CC=C2C=O)O
InChI
InChI=1S/C8H7BO3/c10-4-6-2-1-3-7-5-12-9(11)8(6)7/h1-4,11H,5H2
InChIKey
YIPWTYBOCAQUHT-UHFFFAOYSA-N
Compound name
1-hydroxy-3H-2,1-benzoxaborole-7-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

162.04883 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.056106 127.4
[M+Na]+ 185.038048 137.0
[M-H]- 161.041554 131.9
[M+NH4]+ 180.082653 149.4
[M+K]+ 201.011988 135.7
[M+H-H2O]+ 145.046090 123.0
[M+HCOO]- 207.047031 149.8
[M+CH3COO]- 221.062681 173.3
[M+Na-2H]- 183.023496 134.9
[M]+ 162.04828142 128.6
[M]- 162.04937858 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