CID 2781491

4-phenyl-5-(trifluoromethyl)thiophene-3-sulfonyl 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

25
Patents

325.94498 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.95226 171.2
[M+Na]+ 348.93420 180.1
[M+NH4]+ 343.97880 177.2
[M+K]+ 364.90814 172.8
[M-H]- 324.93770 169.2
[M+Na-2H]- 346.91965 174.8
[M]+ 325.94443 172.8
[M]- 325.94553 172.8
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