CID 2736869

2,6-dichloro-4-(trifluoromethyl)benzenesulfonyl chloride

Structural Information

Molecular Formula
C7H2Cl3F3O2S
SMILES
C1=C(C=C(C(=C1Cl)S(=O)(=O)Cl)Cl)C(F)(F)F
InChI
InChI=1S/C7H2Cl3F3O2S/c8-4-1-3(7(11,12)13)2-5(9)6(4)16(10,14)15/h1-2H
InChIKey
MRGIKDMKHORAMU-UHFFFAOYSA-N
Compound name
2,6-dichloro-4-(trifluoromethyl)benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

113
Patents

311.8793 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.88658 147.6
[M+Na]+ 334.86852 160.1
[M-H]- 310.87202 147.7
[M+NH4]+ 329.91312 164.7
[M+K]+ 350.84246 153.6
[M+H-H2O]+ 294.87656 143.2
[M+HCOO]- 356.87750 147.5
[M+CH3COO]- 370.89315 196.9
[M+Na-2H]- 332.85397 149.7
[M]+ 311.87875 149.9
[M]- 311.87985 149.9
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