CID 2781491

4-phenyl-5-(trifluoromethyl)-3-thiophenesulfonyl chloride

Structural Information

Molecular Formula
C11H6ClF3O2S2
SMILES
C1=CC=C(C=C1)C2=C(SC=C2S(=O)(=O)Cl)C(F)(F)F
InChI
InChI=1S/C11H6ClF3O2S2/c12-19(16,17)8-6-18-10(11(13,14)15)9(8)7-4-2-1-3-5-7/h1-6H
InChIKey
OSYDWXUOQYZLKB-UHFFFAOYSA-N
Compound name
4-phenyl-5-(trifluoromethyl)thiophene-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

325.94498 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.952256 163.2
[M+Na]+ 348.934198 175.0
[M-H]- 324.937704 167.2
[M+NH4]+ 343.978803 181.0
[M+K]+ 364.908138 168.1
[M+H-H2O]+ 308.942240 156.3
[M+HCOO]- 370.943181 169.0
[M+CH3COO]- 384.958831 198.0
[M+Na-2H]- 346.919646 163.7
[M]+ 325.94443142 165.3
[M]- 325.94552858 165.3
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