CID 59606825

2-(6-chloro-2,3-dihydro-1h-inden-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C15H20BClO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(CCC3)C=C2Cl
InChI
InChI=1S/C15H20BClO2/c1-14(2)15(3,4)19-16(18-14)12-8-10-6-5-7-11(10)9-13(12)17/h8-9H,5-7H2,1-4H3
InChIKey
DHTILCHQTSRHIL-UHFFFAOYSA-N
Compound name
2-(6-chloro-2,3-dihydro-1H-inden-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

278.12448 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.13176 160.9
[M+Na]+ 301.11370 171.6
[M-H]- 277.11720 170.3
[M+NH4]+ 296.15830 184.5
[M+K]+ 317.08764 168.6
[M+H-H2O]+ 261.12174 157.8
[M+HCOO]- 323.12268 175.6
[M+CH3COO]- 337.13833 174.7
[M+Na-2H]- 299.09915 163.7
[M]+ 278.12393 165.0
[M]- 278.12503 165.0
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