CID 105513118

2,2-difluoro-2-(4-fluorophenyl)ethane-1-sulfonyl chloride

Structural Information

Molecular Formula
C8H6ClF3O2S
SMILES
C1=CC(=CC=C1C(CS(=O)(=O)Cl)(F)F)F
InChI
InChI=1S/C8H6ClF3O2S/c9-15(13,14)5-8(11,12)6-1-3-7(10)4-2-6/h1-4H,5H2
InChIKey
TUTBCVOTAHYLCR-UHFFFAOYSA-N
Compound name
2,2-difluoro-2-(4-fluorophenyl)ethanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.9729 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.98018 143.6
[M+Na]+ 280.96212 154.3
[M-H]- 256.96562 144.2
[M+NH4]+ 276.00672 162.0
[M+K]+ 296.93606 149.2
[M+H-H2O]+ 240.97016 136.9
[M+HCOO]- 302.97110 153.3
[M+CH3COO]- 316.98675 188.5
[M+Na-2H]- 278.94757 147.9
[M]+ 257.97235 144.6
[M]- 257.97345 144.6
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.