CID 66715127

1003298-87-0

Structural Information

Molecular Formula
C12H15BCl2O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C(=C2)Cl)O)Cl
InChI
InChI=1S/C12H15BCl2O3/c1-11(2)12(3,4)18-13(17-11)7-5-8(14)10(16)9(15)6-7/h5-6,16H,1-4H3
InChIKey
IAVSUBSFIDLDNW-UHFFFAOYSA-N
Compound name
2,6-dichloro-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

59
Patents

288.04913 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.05641 154.3
[M+Na]+ 311.03835 166.4
[M-H]- 287.04185 161.7
[M+NH4]+ 306.08295 174.8
[M+K]+ 327.01229 163.2
[M+H-H2O]+ 271.04639 152.4
[M+HCOO]- 333.04733 164.7
[M+CH3COO]- 347.06298 196.2
[M+Na-2H]- 309.02380 158.4
[M]+ 288.04858 160.4
[M]- 288.04968 160.4
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

patents stripe