CID 88583310

2141947-89-7

Structural Information

Molecular Formula
C20H20BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)OC3=CC=C(C=C3)C#N)C=O
InChI
InChI=1S/C20H20BNO4/c1-19(2)20(3,4)26-21(25-19)18-10-9-17(11-15(18)13-23)24-16-7-5-14(12-22)6-8-16/h5-11,13H,1-4H3
InChIKey
XTMDXEDJWWVAKJ-UHFFFAOYSA-N
Compound name
4-[3-formyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

349.14853 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.15581 173.0
[M+Na]+ 372.13775 186.5
[M+NH4]+ 367.18235 179.2
[M+K]+ 388.11169 175.6
[M-H]- 348.14125 172.5
[M+Na-2H]- 370.12320 179.6
[M]+ 349.14798 174.4
[M]- 349.14908 174.4
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