CID 75525667

1430057-83-2

Structural Information

Molecular Formula
C10H16BClN2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=NN2C)Cl
InChI
InChI=1S/C10H16BClN2O2/c1-9(2)10(3,4)16-11(15-9)8-7(12)6-13-14(8)5/h6H,1-5H3
InChIKey
CAGNCZDZKPUJSZ-UHFFFAOYSA-N
Compound name
4-chloro-1-methyl-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

48
Patents

242.09933 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.106606 145.4
[M+Na]+ 265.088548 157.3
[M-H]- 241.092054 151.8
[M+NH4]+ 260.133153 166.8
[M+K]+ 281.062488 156.4
[M+H-H2O]+ 225.096590 141.2
[M+HCOO]- 287.097531 160.8
[M+CH3COO]- 301.113181 190.6
[M+Na-2H]- 263.073996 149.2
[M]+ 242.09878142 151.1
[M]- 242.09987858 151.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe