CID 22735874

(2-chloro-4-isopropoxyphenyl)boronic acid

Structural Information

Molecular Formula
C9H12BClO3
SMILES
B(C1=C(C=C(C=C1)OC(C)C)Cl)(O)O
InChI
InChI=1S/C9H12BClO3/c1-6(2)14-7-3-4-8(10(12)13)9(11)5-7/h3-6,12-13H,1-2H3
InChIKey
OKGHQUDYWHNUKC-UHFFFAOYSA-N
Compound name
(2-chloro-4-propan-2-yloxyphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

214.05681 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.06409 141.2
[M+Na]+ 237.04603 149.4
[M-H]- 213.04953 142.6
[M+NH4]+ 232.09063 159.8
[M+K]+ 253.01997 146.2
[M+H-H2O]+ 197.05407 137.2
[M+HCOO]- 259.05501 156.8
[M+CH3COO]- 273.07066 182.5
[M+Na-2H]- 235.03148 143.9
[M]+ 214.05626 143.6
[M]- 214.05736 143.6
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