CID 118989084

1446443-32-8

Structural Information

Molecular Formula
C12H17BClNO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(ON=C2Cl)C3CC3
InChI
InChI=1S/C12H17BClNO3/c1-11(2)12(3,4)18-13(17-11)8-9(7-5-6-7)16-15-10(8)14/h7H,5-6H2,1-4H3
InChIKey
ZLLSLBGCJPYUFF-UHFFFAOYSA-N
Compound name
3-chloro-5-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.099 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.10628 151.7
[M+Na]+ 292.08822 163.9
[M-H]- 268.09172 163.3
[M+NH4]+ 287.13282 166.8
[M+K]+ 308.06216 164.3
[M+H-H2O]+ 252.09626 148.4
[M+HCOO]- 314.09720 165.8
[M+CH3COO]- 328.11285 165.8
[M+Na-2H]- 290.07367 155.7
[M]+ 269.09845 160.9
[M]- 269.09955 160.9
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

No patent data available for this compound.