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

5
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 137.1
[M+Na]+ 250.97604 147.7
[M-H]- 226.97954 136.4
[M+NH4]+ 246.02064 155.8
[M+K]+ 266.94998 144.2
[M+H-H2O]+ 210.98408 128.8
[M+HCOO]- 272.98502 150.5
[M+CH3COO]- 287.00067 183.9
[M+Na-2H]- 248.96149 141.6
[M]+ 227.98627 134.5
[M]- 227.98737 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