CID 2782859

850623-67-5

Structural Information

Molecular Formula
C7H8BF3NO2S
SMILES
[B-](C1=CC(=CC=C1)NS(=O)(=O)C)(F)(F)F
InChI
InChI=1S/C7H8BF3NO2S/c1-15(13,14)12-7-4-2-3-6(5-7)8(9,10)11/h2-5,12H,1H3/q-1
InChIKey
ABFUVNGAOBSDBY-UHFFFAOYSA-N
Compound name
trifluoro-[3-(methanesulfonamido)phenyl]boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.03209 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.039366 140.4
[M+Na]+ 261.021308 148.9
[M-H]- 237.024814 138.9
[M+NH4]+ 256.065913 157.5
[M+K]+ 276.995248 145.3
[M+H-H2O]+ 221.029350 134.6
[M+HCOO]- 283.030291 154.8
[M+CH3COO]- 297.045941 185.7
[M+Na-2H]- 259.006756 144.8
[M]+ 238.03154142 135.8
[M]- 238.03263858 135.8
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.