CID 140746333

1795451-70-5

Structural Information

Molecular Formula
C13H20BNO3S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)S(=N)(=O)C
InChI
InChI=1S/C13H20BNO3S/c1-12(2)13(3,4)18-14(17-12)10-6-8-11(9-7-10)19(5,15)16/h6-9,15H,1-5H3
InChIKey
LOKTZFTVNYBBJI-UHFFFAOYSA-N
Compound name
imino-methyl-oxo-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-lambda6-sulfane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

281.1257 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.13298 160.5
[M+Na]+ 304.11492 170.9
[M+NH4]+ 299.15952 170.6
[M+K]+ 320.08886 163.1
[M-H]- 280.11842 165.5
[M+Na-2H]- 302.10037 167.9
[M]+ 281.12515 164.2
[M]- 281.12625 164.2
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