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

3
Patents

265.90298 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.91026 151.0
[M+Na]+ 288.89220 164.9
[M-H]- 264.89570 156.9
[M+NH4]+ 283.93680 173.1
[M+K]+ 304.86614 158.4
[M+H-H2O]+ 248.90024 149.1
[M+HCOO]- 310.90118 157.0
[M+CH3COO]- 324.91683 164.9
[M+Na-2H]- 286.87765 154.2
[M]+ 265.90243 159.2
[M]- 265.90353 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