CID 140881816

4-chloro-8-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline

Structural Information

Molecular Formula
C16H19BClNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=CN=C3C(=C2)C)Cl
InChI
InChI=1S/C16H19BClNO2/c1-10-8-11(9-12-13(18)6-7-19-14(10)12)17-20-15(2,3)16(4,5)21-17/h6-9H,1-5H3
InChIKey
MSHQKVREFJNVLJ-UHFFFAOYSA-N
Compound name
4-chloro-8-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

303.11975 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.12703 165.4
[M+Na]+ 326.10897 177.8
[M-H]- 302.11247 174.0
[M+NH4]+ 321.15357 185.2
[M+K]+ 342.08291 174.8
[M+H-H2O]+ 286.11701 159.7
[M+HCOO]- 348.11795 179.3
[M+CH3COO]- 362.13360 178.9
[M+Na-2H]- 324.09442 170.2
[M]+ 303.11920 171.5
[M]- 303.12030 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

patents stripe