CID 2782857

850623-65-3

Structural Information

Molecular Formula
C7H7BF3O2S
SMILES
[B-](C1=CC=CC=C1S(=O)(=O)C)(F)(F)F
InChI
InChI=1S/C7H7BF3O2S/c1-14(12,13)7-5-3-2-4-6(7)8(9,10)11/h2-5H,1H3/q-1
InChIKey
NGLJAQULPGOIIV-UHFFFAOYSA-N
Compound name
trifluoro-(2-methylsulfonylphenyl)boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.0212 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.028476 136.5
[M+Na]+ 246.010418 146.0
[M-H]- 222.013924 135.3
[M+NH4]+ 241.055023 154.7
[M+K]+ 261.984358 142.7
[M+H-H2O]+ 206.018460 131.3
[M+HCOO]- 268.019401 150.1
[M+CH3COO]- 282.035051 181.1
[M+Na-2H]- 243.995866 140.4
[M]+ 223.02065142 132.8
[M]- 223.02174858 132.8
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.