CID 67050616

1282530-99-7

Structural Information

Molecular Formula
C11H19BN2O4S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)CS(=O)(=O)C
InChI
InChI=1S/C11H19BN2O4S/c1-10(2)11(3,4)18-12(17-10)9-6-13-14(7-9)8-19(5,15)16/h6-7H,8H2,1-5H3
InChIKey
HHCTVKKVTRICQK-UHFFFAOYSA-N
Compound name
1-(methylsulfonylmethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

286.11584 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.12312 155.5
[M+Na]+ 309.10506 166.4
[M-H]- 285.10856 162.2
[M+NH4]+ 304.14966 174.8
[M+K]+ 325.07900 167.3
[M+H-H2O]+ 269.11310 152.5
[M+HCOO]- 331.11404 170.0
[M+CH3COO]- 345.12969 195.5
[M+Na-2H]- 307.09051 159.2
[M]+ 286.11529 163.2
[M]- 286.11639 163.2
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