CID 155819870

Potassium trifluoro(1-methyl-1-oxo-3h-1lambda6,2-benzothiazol-5-yl)boranuide

Structural Information

Molecular Formula
C8H8BF3NOS
SMILES
[B-](C1=CC2=C(C=C1)S(=NC2)(=O)C)(F)(F)F
InChI
InChI=1S/C8H8BF3NOS/c1-15(14)8-3-2-7(9(10,11)12)4-6(8)5-13-15/h2-4H,5H2,1H3/q-1
InChIKey
AEDHBSBVAINEFJ-UHFFFAOYSA-N
Compound name
trifluoro-(1-methyl-1-oxo-3H-1,2-benzothiazol-5-yl)boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.03717 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.04445 139.1
[M+Na]+ 257.02639 151.1
[M-H]- 233.02989 138.0
[M+NH4]+ 252.07099 160.9
[M+K]+ 273.00033 147.1
[M+H-H2O]+ 217.03443 134.3
[M+HCOO]- 279.03537 153.1
[M+CH3COO]- 293.05102 183.3
[M+Na-2H]- 255.01184 143.3
[M]+ 234.03662 136.8
[M]- 234.03772 136.8
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.