CID 2734622

269409-97-4

Structural Information

Molecular Formula
C12H17BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2O
InChI
InChI=1S/C12H17BO3/c1-11(2)12(3,4)16-13(15-11)9-7-5-6-8-10(9)14/h5-8,14H,1-4H3
InChIKey
VLROJECCXBBKPZ-UHFFFAOYSA-N
Compound name
2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

542
Patents

220.12708 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.13436 144.7
[M+Na]+ 243.11630 157.3
[M+NH4]+ 238.16090 155.9
[M+K]+ 259.09024 150.5
[M-H]- 219.11980 150.3
[M+Na-2H]- 241.10175 152.9
[M]+ 220.12653 148.5
[M]- 220.12763 148.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe