CID 2776983

2,4,6-trifluorobenzenesulfonyl chloride

Structural Information

Molecular Formula
C6H2ClF3O2S
SMILES
C1=C(C=C(C(=C1F)S(=O)(=O)Cl)F)F
InChI
InChI=1S/C6H2ClF3O2S/c7-13(11,12)6-4(9)1-3(8)2-5(6)10/h1-2H
InChIKey
XINCBNCLCIQIJM-UHFFFAOYSA-N
Compound name
2,4,6-trifluorobenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

240
Patents

229.94162 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.94890 132.3
[M+Na]+ 252.93084 145.2
[M-H]- 228.93434 133.6
[M+NH4]+ 247.97544 152.3
[M+K]+ 268.90478 140.2
[M+H-H2O]+ 212.93888 126.1
[M+HCOO]- 274.93982 144.1
[M+CH3COO]- 288.95547 184.4
[M+Na-2H]- 250.91629 135.4
[M]+ 229.94107 133.9
[M]- 229.94217 133.9
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