CID 63702242

[(2-chlorophenyl)methyl]boronic acid

Structural Information

Molecular Formula
C7H8BClO2
SMILES
B(CC1=CC=CC=C1Cl)(O)O
InChI
InChI=1S/C7H8BClO2/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4,10-11H,5H2
InChIKey
JHDZJRYKSWVGNS-UHFFFAOYSA-N
Compound name
(2-chlorophenyl)methylboronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.0306 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.03788 130.6
[M+Na]+ 193.01982 143.6
[M+NH4]+ 188.06442 139.3
[M+K]+ 208.99376 137.7
[M-H]- 169.02332 131.9
[M+Na-2H]- 191.00527 137.2
[M]+ 170.03005 133.0
[M]- 170.03115 133.0
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.