CID 15158606

3-chloro-1-benzothiophene-2-sulfonyl chloride

Structural Information

Molecular Formula
C8H4Cl2O2S2
SMILES
C1=CC=C2C(=C1)C(=C(S2)S(=O)(=O)Cl)Cl
InChI
InChI=1S/C8H4Cl2O2S2/c9-7-5-3-1-2-4-6(5)13-8(7)14(10,11)12/h1-4H
InChIKey
LITUWUFHSOPITQ-UHFFFAOYSA-N
Compound name
3-chloro-1-benzothiophene-2-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

265.90298 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.910256 151.0
[M+Na]+ 288.892198 164.9
[M-H]- 264.895704 156.9
[M+NH4]+ 283.936803 173.1
[M+K]+ 304.866138 158.4
[M+H-H2O]+ 248.900240 149.1
[M+HCOO]- 310.901181 157.0
[M+CH3COO]- 324.916831 164.9
[M+Na-2H]- 286.877646 154.2
[M]+ 265.90243142 159.2
[M]- 265.90352858 159.2
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