CID 56973063

1393822-81-5

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 167.4
[M+Na]+ 323.14300 172.9
[M-H]- 299.14650 167.5
[M+NH4]+ 318.18760 181.6
[M+K]+ 339.11694 171.1
[M+H-H2O]+ 283.15104 163.6
[M+HCOO]- 345.15198 179.8
[M+CH3COO]- 359.16763 202.2
[M+Na-2H]- 321.12845 168.1
[M]+ 300.15323 171.9
[M]- 300.15433 171.9
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