CID 162378729

2750602-16-3

Structural Information

Molecular Formula
C12H20BClN2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=NN2C(C)C)Cl
InChI
InChI=1S/C12H20BClN2O2/c1-8(2)16-10(9(14)7-15-16)13-17-11(3,4)12(5,6)18-13/h7-8H,1-6H3
InChIKey
YLBUAZUHFLCJNF-UHFFFAOYSA-N
Compound name
4-chloro-1-propan-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

270.13065 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.13793 154.5
[M+Na]+ 293.11987 165.2
[M-H]- 269.12337 160.7
[M+NH4]+ 288.16447 174.7
[M+K]+ 309.09381 164.3
[M+H-H2O]+ 253.12791 150.2
[M+HCOO]- 315.12885 168.2
[M+CH3COO]- 329.14450 197.4
[M+Na-2H]- 291.10532 156.1
[M]+ 270.13010 160.3
[M]- 270.13120 160.3
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