CID 98462902

2-(trifluoromethyl)benzenesulfonyl fluoride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

227.98682 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.99410 153.3
[M+Na]+ 250.97604 160.7
[M+NH4]+ 246.02064 157.7
[M+K]+ 266.94998 155.0
[M-H]- 226.97954 148.1
[M+Na-2H]- 248.96149 155.7
[M]+ 227.98627 153.0
[M]- 227.98737 153.0
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