CID 56973063

Lithium (3-chloropyridin-2-yl)triisopropoxyborate

Structural Information

Molecular Formula
C14H24BClNO3
SMILES
[B-](C1=C(C=CC=N1)Cl)(OC(C)C)(OC(C)C)OC(C)C
InChI
InChI=1S/C14H24BClNO3/c1-10(2)18-15(19-11(3)4,20-12(5)6)14-13(16)8-7-9-17-14/h7-12H,1-6H3/q-1
InChIKey
WQANYARJQKKIAE-UHFFFAOYSA-N
Compound name
(3-chloropyridin-2-yl)-tri(propan-2-yloxy)boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

300.15378 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.16106 167.6
[M+Na]+ 323.14300 178.0
[M+NH4]+ 318.18760 173.4
[M+K]+ 339.11694 174.6
[M-H]- 299.14650 166.7
[M+Na-2H]- 321.12845 170.8
[M]+ 300.15323 168.7
[M]- 300.15433 168.7
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