CID 90177577

1612172-62-9

Structural Information

Molecular Formula
C12H19BN2O4S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)S(=O)(=O)C3CC3
InChI
InChI=1S/C12H19BN2O4S/c1-11(2)12(3,4)19-13(18-11)9-7-14-15(8-9)20(16,17)10-5-6-10/h7-8,10H,5-6H2,1-4H3
InChIKey
CWOOICDCNKJNSS-UHFFFAOYSA-N
Compound name
1-cyclopropylsulfonyl-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

82
Patents

298.11584 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.12312 160.7
[M+Na]+ 321.10506 172.3
[M-H]- 297.10856 170.7
[M+NH4]+ 316.14966 174.3
[M+K]+ 337.07900 172.9
[M+H-H2O]+ 281.11310 157.6
[M+HCOO]- 343.11404 174.1
[M+CH3COO]- 357.12969 199.7
[M+Na-2H]- 319.09051 163.7
[M]+ 298.11529 169.9
[M]- 298.11639 169.9
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