CID 140746340

1798336-50-1

Structural Information

Molecular Formula
C13H17BF3NO3S
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)S(=N)(=O)C(F)(F)F
InChI
InChI=1S/C13H17BF3NO3S/c1-11(2)12(3,4)21-14(20-11)9-5-7-10(8-6-9)22(18,19)13(15,16)17/h5-8,18H,1-4H3
InChIKey
RNLKGIBLTCLPTR-UHFFFAOYSA-N
Compound name
imino-oxo-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-(trifluoromethyl)-lambda6-sulfane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.09744 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.10472 164.7
[M+Na]+ 358.08666 174.5
[M-H]- 334.09016 169.5
[M+NH4]+ 353.13126 182.3
[M+K]+ 374.06060 173.4
[M+H-H2O]+ 318.09470 159.0
[M+HCOO]- 380.09564 176.2
[M+CH3COO]- 394.11129 206.6
[M+Na-2H]- 356.07211 170.4
[M]+ 335.09689 165.1
[M]- 335.09799 165.1
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.