CID 12292865

5-chlorothiophene-2-thiol

Structural Information

Molecular Formula
C4H3ClS2
SMILES
C1=C(SC(=C1)Cl)S
InChI
InChI=1S/C4H3ClS2/c5-3-1-2-4(6)7-3/h1-2,6H
InChIKey
LOHFOVVANBMXLX-UHFFFAOYSA-N
Compound name
5-chlorothiophene-2-thiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

149.93648 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.94376 122.9
[M+Na]+ 172.92570 134.6
[M-H]- 148.92920 127.8
[M+NH4]+ 167.97030 147.9
[M+K]+ 188.89964 130.5
[M+H-H2O]+ 132.93374 119.8
[M+HCOO]- 194.93468 134.1
[M+CH3COO]- 208.95033 138.1
[M+Na-2H]- 170.91115 123.9
[M]+ 149.93593 126.9
[M]- 149.93703 126.9
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