CID 57992009

1166831-37-3

Structural Information

Molecular Formula
C18H27BO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)CC(=O)OC(C)(C)C
InChI
InChI=1S/C18H27BO4/c1-16(2,3)21-15(20)12-13-8-10-14(11-9-13)19-22-17(4,5)18(6,7)23-19/h8-11H,12H2,1-7H3
InChIKey
YTYUVXKDPSQPIQ-UHFFFAOYSA-N
Compound name
tert-butyl 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

318.20023 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.20751 170.4
[M+Na]+ 341.18945 178.2
[M-H]- 317.19295 178.9
[M+NH4]+ 336.23405 188.8
[M+K]+ 357.16339 179.2
[M+H-H2O]+ 301.19749 166.6
[M+HCOO]- 363.19843 188.0
[M+CH3COO]- 377.21408 207.3
[M+Na-2H]- 339.17490 174.8
[M]+ 318.19968 176.5
[M]- 318.20078 176.5
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