CID 124707581

4-chloro-1,3-dihydro-2,1-benzoxaborol-1-ol

Structural Information

Molecular Formula
C7H6BClO2
SMILES
B1(C2=C(CO1)C(=CC=C2)Cl)O
InChI
InChI=1S/C7H6BClO2/c9-7-3-1-2-6-5(7)4-11-8(6)10/h1-3,10H,4H2
InChIKey
IHDXDFBZHOOZJY-UHFFFAOYSA-N
Compound name
4-chloro-1-hydroxy-3H-2,1-benzoxaborole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.01494 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.02222 128.4
[M+Na]+ 191.00416 139.0
[M-H]- 167.00766 132.8
[M+NH4]+ 186.04876 151.2
[M+K]+ 206.97810 136.1
[M+H-H2O]+ 151.01220 124.9
[M+HCOO]- 213.01314 146.0
[M+CH3COO]- 227.02879 143.3
[M+Na-2H]- 188.98961 135.7
[M]+ 168.01439 130.4
[M]- 168.01549 130.4
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

No patent data available for this compound.