CID 43363637

776-09-0

Structural Information

Molecular Formula
C6HClF4O2S
SMILES
C1=C(C(=C(C(=C1F)F)S(=O)(=O)Cl)F)F
InChI
InChI=1S/C6HClF4O2S/c7-14(12,13)6-4(10)2(8)1-3(9)5(6)11/h1H
InChIKey
WQJDRBBQQXGDNZ-UHFFFAOYSA-N
Compound name
2,3,5,6-tetrafluorobenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

247.93219 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.93947 133.6
[M+Na]+ 270.92141 147.3
[M-H]- 246.92491 133.8
[M+NH4]+ 265.96601 153.0
[M+K]+ 286.89535 141.9
[M+H-H2O]+ 230.92945 126.6
[M+HCOO]- 292.93039 144.3
[M+CH3COO]- 306.94604 188.4
[M+Na-2H]- 268.90686 135.6
[M]+ 247.93164 134.3
[M]- 247.93274 134.3
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