CID 130115797

149777-87-7

Structural Information

Molecular Formula
C18H21BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)/C=C/C2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C18H21BO2/c1-17(2)18(3,4)21-19(20-17)13-12-15-10-7-9-14-8-5-6-11-16(14)15/h5-13H,1-4H3/b13-12+
InChIKey
YGJUCDURNWXFFM-OUKQBFOZSA-N
Compound name
4,4,5,5-tetramethyl-2-[(E)-2-naphthalen-1-ylethenyl]-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

280.16345 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.17073 163.5
[M+Na]+ 303.15267 173.0
[M-H]- 279.15617 172.8
[M+NH4]+ 298.19727 184.2
[M+K]+ 319.12661 170.7
[M+H-H2O]+ 263.16071 157.7
[M+HCOO]- 325.16165 182.9
[M+CH3COO]- 339.17730 176.7
[M+Na-2H]- 301.13812 169.2
[M]+ 280.16290 166.2
[M]- 280.16400 166.2
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