CID 146035304

2093152-46-4

Structural Information

Molecular Formula
C19H22BClO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)OCC3=CC=CC=C3)Cl
InChI
InChI=1S/C19H22BClO3/c1-18(2)19(3,4)24-20(23-18)15-10-11-17(16(21)12-15)22-13-14-8-6-5-7-9-14/h5-12H,13H2,1-4H3
InChIKey
ZAQHCZGWQVSJIP-UHFFFAOYSA-N
Compound name
2-(3-chloro-4-phenylmethoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

344.13504 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.14232 177.3
[M+Na]+ 367.12426 187.3
[M-H]- 343.12776 189.0
[M+NH4]+ 362.16886 195.1
[M+K]+ 383.09820 184.6
[M+H-H2O]+ 327.13230 171.3
[M+HCOO]- 389.13324 193.4
[M+CH3COO]- 403.14889 190.1
[M+Na-2H]- 365.10971 180.9
[M]+ 344.13449 183.9
[M]- 344.13559 183.9
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