CID 137963890

2365173-71-1

Structural Information

Molecular Formula
C13H20BClN2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)/C=C/C2=C(N(N=C2C)C)Cl
InChI
InChI=1S/C13H20BClN2O2/c1-9-10(11(15)17(6)16-9)7-8-14-18-12(2,3)13(4,5)19-14/h7-8H,1-6H3/b8-7+
InChIKey
URVZBNWUZXAJQE-BQYQJAHWSA-N
Compound name
5-chloro-1,3-dimethyl-4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.13065 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.13793 157.4
[M+Na]+ 305.11987 169.3
[M-H]- 281.12337 163.7
[M+NH4]+ 300.16447 177.5
[M+K]+ 321.09381 167.0
[M+H-H2O]+ 265.12791 153.2
[M+HCOO]- 327.12885 172.0
[M+CH3COO]- 341.14450 199.2
[M+Na-2H]- 303.10532 159.1
[M]+ 282.13010 163.8
[M]- 282.13120 163.8
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

No patent data available for this compound.