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 157.0
[M+Na]+ 304.11492 166.4
[M-H]- 280.11842 165.8
[M+NH4]+ 299.15952 176.9
[M+K]+ 320.08886 165.8
[M+H-H2O]+ 264.12296 153.5
[M+HCOO]- 326.12390 173.1
[M+CH3COO]- 340.13955 198.7
[M+Na-2H]- 302.10037 162.8
[M]+ 281.12515 161.3
[M]- 281.12625 161.3
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