CID 72214535

1953178-19-2

Structural Information

Molecular Formula
C15H20BClO2
SMILES
B1(OC(C(O1)(C)C)(C)C)[C@@H]2C[C@H]2C3=CC(=CC=C3)Cl
InChI
InChI=1S/C15H20BClO2/c1-14(2)15(3,4)19-16(18-14)13-9-12(13)10-6-5-7-11(17)8-10/h5-8,12-13H,9H2,1-4H3/t12-,13+/m0/s1
InChIKey
GGZDAJIXTUNNRK-QWHCGFSZSA-N
Compound name
2-[(1R,2R)-2-(3-chlorophenyl)cyclopropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.12448 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.13176 154.6
[M+Na]+ 301.11370 165.9
[M-H]- 277.11720 166.7
[M+NH4]+ 296.15830 170.4
[M+K]+ 317.08764 165.0
[M+H-H2O]+ 261.12174 150.5
[M+HCOO]- 323.12268 169.7
[M+CH3COO]- 337.13833 168.3
[M+Na-2H]- 299.09915 159.0
[M]+ 278.12393 161.9
[M]- 278.12503 161.9
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

No patent data available for this compound.