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]+ 224.02848 146.0
[M+Na]+ 246.01042 154.3
[M+NH4]+ 241.05502 151.0
[M+K]+ 261.98436 149.3
[M-H]- 222.01392 141.7
[M+Na-2H]- 243.99587 148.7
[M]+ 223.02065 145.9
[M]- 223.02175 145.9
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.