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 140.4
[M+Na]+ 261.02131 148.9
[M-H]- 237.02481 138.9
[M+NH4]+ 256.06591 157.5
[M+K]+ 276.99525 145.3
[M+H-H2O]+ 221.02935 134.6
[M+HCOO]- 283.03029 154.8
[M+CH3COO]- 297.04594 185.7
[M+Na-2H]- 259.00676 144.8
[M]+ 238.03154 135.8
[M]- 238.03264 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.