CID 122236220

4-fluoro-3-(trifluoromethyl)benzene-1-sulfonyl fluoride

Structural Information

Molecular Formula
C7H3F5O2S
SMILES
C1=CC(=C(C=C1S(=O)(=O)F)C(F)(F)F)F
InChI
InChI=1S/C7H3F5O2S/c8-6-2-1-4(15(12,13)14)3-5(6)7(9,10)11/h1-3H
InChIKey
ATLYFJBHIWKYDC-UHFFFAOYSA-N
Compound name
4-fluoro-3-(trifluoromethyl)benzenesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.97739 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.98467 139.0
[M+Na]+ 268.96661 150.4
[M-H]- 244.97011 137.2
[M+NH4]+ 264.01121 157.0
[M+K]+ 284.94055 146.5
[M+H-H2O]+ 228.97465 129.8
[M+HCOO]- 290.97559 151.2
[M+CH3COO]- 304.99124 187.9
[M+Na-2H]- 266.95206 142.2
[M]+ 245.97684 135.4
[M]- 245.97794 135.4
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.