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

30
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 163.2
[M+Na]+ 348.93420 175.0
[M-H]- 324.93770 167.2
[M+NH4]+ 343.97880 181.0
[M+K]+ 364.90814 168.1
[M+H-H2O]+ 308.94224 156.3
[M+HCOO]- 370.94318 169.0
[M+CH3COO]- 384.95883 198.0
[M+Na-2H]- 346.91965 163.7
[M]+ 325.94443 165.3
[M]- 325.94553 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