CID 72219447

4-ethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol

Structural Information

Molecular Formula
C14H21BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC(=C2)O)CC
InChI
InChI=1S/C14H21BO3/c1-6-10-7-8-11(16)9-12(10)15-17-13(2,3)14(4,5)18-15/h7-9,16H,6H2,1-5H3
InChIKey
IXINSCZVESCSBY-UHFFFAOYSA-N
Compound name
4-ethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

248.15837 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.165646 151.6
[M+Na]+ 271.147588 161.2
[M-H]- 247.151094 159.3
[M+NH4]+ 266.192193 172.4
[M+K]+ 287.121528 160.9
[M+H-H2O]+ 231.155630 147.8
[M+HCOO]- 293.156571 171.0
[M+CH3COO]- 307.172221 192.7
[M+Na-2H]- 269.133036 156.6
[M]+ 248.15782142 155.2
[M]- 248.15891858 155.2
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