CID 141704031

2-(4-(3-methoxyoxetan-3-yl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C16H23BO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C3(COC3)OC
InChI
InChI=1S/C16H23BO4/c1-14(2)15(3,4)21-17(20-14)13-8-6-12(7-9-13)16(18-5)10-19-11-16/h6-9H,10-11H2,1-5H3
InChIKey
ZCPAYNRBYJGWHU-UHFFFAOYSA-N
Compound name
2-[4-(3-methoxyoxetan-3-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

290.16895 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.17623 154.4
[M+Na]+ 313.15817 161.5
[M-H]- 289.16167 166.5
[M+NH4]+ 308.20277 167.7
[M+K]+ 329.13211 166.3
[M+H-H2O]+ 273.16621 146.8
[M+HCOO]- 335.16715 172.2
[M+CH3COO]- 349.18280 203.3
[M+Na-2H]- 311.14362 161.2
[M]+ 290.16840 168.1
[M]- 290.16950 168.1
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