CID 2760174

68716-52-9

Structural Information

Molecular Formula
C16H19BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=CC3=CC=CC=C23
InChI
InChI=1S/C16H19BO2/c1-15(2)16(3,4)19-17(18-15)14-11-7-9-12-8-5-6-10-13(12)14/h5-11H,1-4H3
InChIKey
WQGRAXGAXSNSDL-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-naphthalen-1-yl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

281
Patents

254.14781 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.15509 155.1
[M+Na]+ 277.13703 165.1
[M-H]- 253.14053 164.8
[M+NH4]+ 272.18163 176.9
[M+K]+ 293.11097 163.8
[M+H-H2O]+ 237.14507 149.6
[M+HCOO]- 299.14601 175.0
[M+CH3COO]- 313.16166 169.1
[M+Na-2H]- 275.12248 161.9
[M]+ 254.14726 157.9
[M]- 254.14836 157.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe