CID 66691487

(4-chloro-2-(hydroxymethyl)phenyl)boronic acid

Structural Information

Molecular Formula
C7H8BClO3
SMILES
B(C1=C(C=C(C=C1)Cl)CO)(O)O
InChI
InChI=1S/C7H8BClO3/c9-6-1-2-7(8(11)12)5(3-6)4-10/h1-3,10-12H,4H2
InChIKey
SPGPJDKIBHDACA-UHFFFAOYSA-N
Compound name
[4-chloro-2-(hydroxymethyl)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

186.0255 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.03278 133.6
[M+Na]+ 209.01472 146.0
[M+NH4]+ 204.05932 141.4
[M+K]+ 224.98866 141.1
[M-H]- 185.01822 133.9
[M+Na-2H]- 207.00017 138.9
[M]+ 186.02495 135.6
[M]- 186.02605 135.6
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