CID 13425725

5-phenylthiophene-2-sulphonyl chloride

Structural Information

Molecular Formula
C10H7ClO2S2
SMILES
C1=CC=C(C=C1)C2=CC=C(S2)S(=O)(=O)Cl
InChI
InChI=1S/C10H7ClO2S2/c11-15(12,13)10-7-6-9(14-10)8-4-2-1-3-5-8/h1-7H
InChIKey
NHRKTBLHJKMFTP-UHFFFAOYSA-N
Compound name
5-phenylthiophene-2-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

103
Patents

257.9576 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.96488 153.8
[M+Na]+ 280.94682 165.2
[M-H]- 256.95032 161.7
[M+NH4]+ 275.99142 174.3
[M+K]+ 296.92076 159.2
[M+H-H2O]+ 240.95486 149.5
[M+HCOO]- 302.95580 164.5
[M+CH3COO]- 316.97145 186.3
[M+Na-2H]- 278.93227 155.5
[M]+ 257.95705 158.8
[M]- 257.95815 158.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe