CID 165769209

2-(2-chloro-4-(cyclopropylmethoxy)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C16H22BClO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)OCC3CC3)Cl
InChI
InChI=1S/C16H22BClO3/c1-15(2)16(3,4)21-17(20-15)13-8-7-12(9-14(13)18)19-10-11-5-6-11/h7-9,11H,5-6,10H2,1-4H3
InChIKey
GSXOCMSKQUHSLJ-UHFFFAOYSA-N
Compound name
2-[2-chloro-4-(cyclopropylmethoxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.13504 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.14232 162.4
[M+Na]+ 331.12426 173.2
[M-H]- 307.12776 174.4
[M+NH4]+ 326.16886 177.0
[M+K]+ 347.09820 172.5
[M+H-H2O]+ 291.13230 158.2
[M+HCOO]- 353.13324 177.3
[M+CH3COO]- 367.14889 205.6
[M+Na-2H]- 329.10971 166.4
[M]+ 308.13449 171.5
[M]- 308.13559 171.5
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

No patent data available for this compound.