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 136.5
[M+Na]+ 246.01042 146.0
[M-H]- 222.01392 135.3
[M+NH4]+ 241.05502 154.7
[M+K]+ 261.98436 142.7
[M+H-H2O]+ 206.01846 131.3
[M+HCOO]- 268.01940 150.1
[M+CH3COO]- 282.03505 181.1
[M+Na-2H]- 243.99587 140.4
[M]+ 223.02065 132.8
[M]- 223.02175 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.