CID 125454219

1644499-93-3

Structural Information

Molecular Formula
C14H22BNO3S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)N=S(=O)(C)C
InChI
InChI=1S/C14H22BNO3S/c1-13(2)14(3,4)19-15(18-13)11-7-9-12(10-8-11)16-20(5,6)17/h7-10H,1-6H3
InChIKey
PPCSEQIXCANFRZ-UHFFFAOYSA-N
Compound name
dimethyl-oxo-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imino-lambda6-sulfane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

295.14136 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.14864 160.8
[M+Na]+ 318.13058 170.3
[M-H]- 294.13408 170.9
[M+NH4]+ 313.17518 181.0
[M+K]+ 334.10452 170.5
[M+H-H2O]+ 278.13862 156.9
[M+HCOO]- 340.13956 178.2
[M+CH3COO]- 354.15521 203.4
[M+Na-2H]- 316.11603 166.6
[M]+ 295.14081 167.3
[M]- 295.14191 167.3
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