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]+ 239.03937 146.7
[M+Na]+ 261.02131 153.8
[M+NH4]+ 256.06591 151.2
[M+K]+ 276.99525 149.4
[M-H]- 237.02481 142.5
[M+Na-2H]- 259.00676 149.4
[M]+ 238.03154 146.3
[M]- 238.03264 146.3
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

No patent data available for this compound.