CID 146047912

2-(8-chloronaphthalen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C16H18BClO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C3C(=CC=C2)C=CC=C3Cl
InChI
InChI=1S/C16H18BClO2/c1-15(2)16(3,4)20-17(19-15)12-9-5-7-11-8-6-10-13(18)14(11)12/h5-10H,1-4H3
InChIKey
ONCRTAXUZKLUNL-UHFFFAOYSA-N
Compound name
2-(8-chloronaphthalen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

96
Patents

288.10883 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.11611 162.0
[M+Na]+ 311.09805 173.6
[M-H]- 287.10155 171.8
[M+NH4]+ 306.14265 183.6
[M+K]+ 327.07199 170.5
[M+H-H2O]+ 271.10609 157.3
[M+HCOO]- 333.10703 177.3
[M+CH3COO]- 347.12268 175.9
[M+Na-2H]- 309.08350 167.6
[M]+ 288.10828 167.3
[M]- 288.10938 167.3
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