CID 56773888

1353878-07-5

Structural Information

Molecular Formula
C8H7ClO3S
SMILES
C1C(C2=C(S1(=O)=O)C=CC(=C2)Cl)O
InChI
InChI=1S/C8H7ClO3S/c9-5-1-2-8-6(3-5)7(10)4-13(8,11)12/h1-3,7,10H,4H2
InChIKey
RKSPUXNPAQVIRM-UHFFFAOYSA-N
Compound name
5-chloro-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

217.98044 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.987716 138.2
[M+Na]+ 240.969658 150.9
[M-H]- 216.973164 142.9
[M+NH4]+ 236.014263 163.0
[M+K]+ 256.943598 146.0
[M+H-H2O]+ 200.977700 136.1
[M+HCOO]- 262.978641 152.1
[M+CH3COO]- 276.994291 178.7
[M+Na-2H]- 238.955106 142.5
[M]+ 217.97989142 143.0
[M]- 217.98098858 143.0
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