CID 142510515

2-chloro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline

Structural Information

Molecular Formula
C15H17BClNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)C=CC(=N3)Cl
InChI
InChI=1S/C15H17BClNO2/c1-14(2)15(3,4)20-16(19-14)11-7-5-10-6-8-13(17)18-12(10)9-11/h5-9H,1-4H3
InChIKey
HKPKBKQVPOKSQM-UHFFFAOYSA-N
Compound name
2-chloro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

289.1041 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.11138 161.6
[M+Na]+ 312.09332 173.4
[M-H]- 288.09682 169.9
[M+NH4]+ 307.13792 181.6
[M+K]+ 328.06726 170.6
[M+H-H2O]+ 272.10136 155.6
[M+HCOO]- 334.10230 175.7
[M+CH3COO]- 348.11795 175.1
[M+Na-2H]- 310.07877 167.4
[M]+ 289.10355 166.9
[M]- 289.10465 166.9
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