CID 85828235

4-(trifluoromethyl)benzene-1-sulfonyl fluoride

Structural Information

Molecular Formula
C7H4F4O2S
SMILES
C1=CC(=CC=C1C(F)(F)F)S(=O)(=O)F
InChI
InChI=1S/C7H4F4O2S/c8-7(9,10)5-1-3-6(4-2-5)14(11,12)13/h1-4H
InChIKey
XSYRFOBVQLQWCO-UHFFFAOYSA-N
Compound name
4-(trifluoromethyl)benzenesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

227.98682 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.994096 137.1
[M+Na]+ 250.976038 147.7
[M-H]- 226.979544 136.4
[M+NH4]+ 246.020643 155.8
[M+K]+ 266.949978 144.2
[M+H-H2O]+ 210.984080 128.8
[M+HCOO]- 272.985021 150.5
[M+CH3COO]- 287.000671 183.9
[M+Na-2H]- 248.961486 141.6
[M]+ 227.98627142 134.5
[M]- 227.98736858 134.5
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

patents stripe