CID 44119147

629658-06-6

Structural Information

Molecular Formula
C12H16BClO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)O)Cl
InChI
InChI=1S/C12H16BClO3/c1-11(2)12(3,4)17-13(16-11)8-5-6-10(15)9(14)7-8/h5-7,15H,1-4H3
InChIKey
HBKJZGOCTNRSHF-UHFFFAOYSA-N
Compound name
2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

92
Patents

254.0881 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.09538 149.7
[M+Na]+ 277.07732 163.3
[M+NH4]+ 272.12192 161.0
[M+K]+ 293.05126 156.0
[M-H]- 253.08082 155.3
[M+Na-2H]- 275.06277 157.8
[M]+ 254.08755 154.0
[M]- 254.08865 154.0
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

patents stripe