CID 16217482

870717-98-9

Structural Information

Molecular Formula
C15H17BO3
SMILES
B(C1=CC=C(C=C1)C2=CC=C(C=C2)OC(C)C)(O)O
InChI
InChI=1S/C15H17BO3/c1-11(2)19-15-9-5-13(6-10-15)12-3-7-14(8-4-12)16(17)18/h3-11,17-18H,1-2H3
InChIKey
NBOVAIFWBASNLS-UHFFFAOYSA-N
Compound name
[4-(4-propan-2-yloxyphenyl)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

256.12708 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.13436 157.5
[M+Na]+ 279.11630 163.6
[M-H]- 255.11980 161.7
[M+NH4]+ 274.16090 173.0
[M+K]+ 295.09024 160.4
[M+H-H2O]+ 239.12434 150.6
[M+HCOO]- 301.12528 177.0
[M+CH3COO]- 315.14093 192.6
[M+Na-2H]- 277.10175 160.0
[M]+ 256.12653 157.4
[M]- 256.12763 157.4
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